! C5 alcohol (2-methylbutanol, iso-pentanol) + PRFs skeletal mechanism !-----------------------------------------------------------------------------! elements c h n o ar he end !-----------------------------------------------------------------------------! SPECIES h h2 o o2 oh oh* h2o n2 ho2 h2o2 co co2 ch2o hco ho2cho hcoh o2cho hocho ocho hoch2o ch3oh ch2oh ch3o ch3o2h ch3o2 ch4 ch3 ch2 ch2(s) c ch c2h6 c2h5 c2h4 c2h3 c2h2 c2h ch3cho c2h3oh ch3co ch2cho o2ch2cho ho2ch2co ch2co hcco hccoh ch3co3h ch3co3 ch3co2 c2h5oh c2h5o pc2h4oh sc2h4oh o2c2h4oh c2h5o2h c2h5o2 c2h4o2h c2h4o1-2 c2h3o1-2 ch3coch3 ch3coch2 ch3coch2o2 c3ket21 c2h3cho c2h3co c2h5cho c2h5co ch3ocho ch3oco ch2ocho c3h8 ic3h7 nc3h7 c3h6 c3h5-a c3h5-s c3h5-t c3h4-p c3h4-a c3h3 c3h5o c3h6ooh1-2 c3h6ooh1-3 c3h6ooh2-1 c3h6ooh1-3o2 c3h6ooh2-1o2 ic3h7o2h nc3h7o2 ic3h7o2 nc3h7o ic3h7o c3h6o1-2 c3h6o1-3 c3ket13 c3h52-1,3ooh c3h6oh hoc3h6o2 ch3chco ac3h5ooh c2h3ooh h2cc c4h8-1 c4h8-2 pc4h9 sc4h9 c4h71-1 c4h71-2 c4h71-3 c4h71-4 c4h72-2 c4h6 pc4h9o2h sc4h9o2h pc4h9o2 sc4h9o2 pc4h9o sc4h9o c4h7o pc4h8oh sc4h8oh c4h8oh-1o2 c4h8oh-2o2 c4h8ooh1-3 c4h8ooh2-4 c4h8ooh1-3o2 c4h8ooh2-4o2 nc4ket13 nc4ket23 nc4ket24 c2h5coch3 c2h5coch2 ch2ch2coch3 ch3chcoch3 c2h3coch3 ch3choococh3 ch2choohcoch3 nc3h7cho nc3h7co c3h6cho-1 c3h6cho-2 c3h6cho-3 sc3h5cho sc3h5co ch2ch2cho ic4h10 ic4h9 tc4h9 ic4h8 ic4h7 tc4h9o2 ic4h9o2 tc4h8o2h-i ic4h8o2h-i ic4h8o2h-t ic4h8o ic4h9o tc4h9o ic4h9o2h tc4h9o2h ic4h7o ic4h8oh io2c4h8oh ic3h7cho tc3h6cho ic3h7co ic3h6cho tc4h8ooh-io2 ic4h8ooh-io2 ic4ketii ic4h7oh ic4h6oh ic3h5cho ic3h5co tc3h6ocho ic3h6co ic4h7ooh tc3h6oh ic3h5oh tc3h6o2cho tc3h6o2hco ic3h5o2hcho ch2cch2oh tc4h8cho o2c4h8cho o2hc4h8co c3h5oh c4h4 c4h3-i c4h3-n c4h2 c4h5-i c4h5-n ch2chchcho c4h5-2 c4h6-2 h2c4o c4h8oh-2 c4h8oh-3 c4h6oh1-32 c4h7oh1-1 c4h6oh1-13 c4h5oh-13 c4h7oh2-1 c4h7oh1-4 ic3h6oh c3h6oh-1 c4h7oh2-2 c4h7oh1-2 ch3chchoh c3h6oh-2 ic3h5ch2oh hoch2cho hoch2co hoc2h4cho hoc2h4co c3h6oh-3 ic4h9cho ic4h9co ic4h8cho-1 ic4h8cho-2 ic4h8cho-3 ic5h11oh ic5h10oh-1 ic5h10oh-2 ic5h10oh-3 ic5h10oh-4 ic5h11o ic5h9oh1-1 ic5h9oh1-2 ic5h9oh1-3 ic5h8oh32 ic5h10oh-1o ic5h10oh-2o ic5h10oh-3o ic5h10oh-4o ic5h10oh-1o2 ic5h10oh-2o2 ic5h10oh-3o2 ic5h10oh-4o2 ic5h10oh-1ooh ic5h10oh-2ooh ic5h10oh-3ooh ic5h10oh-4ooh ic5h9oh-1ooh-2 ic5h9oh-1ooh-3 ic5h9oh-1ooh-4 ic5h9oh-2ooh-1 ic5h9oh-2ooh-3 ic5h9oh-2ooh-4 ic5h9oh-3ooh-1 ic5h9oh-4ooh-1 ic5h9oh-4ooh-2 ic5h9oh-4ooh-3 ic5h9oh-1ooh-2o2 ic5h9oh-1ooh-3o2 ic5h9oh-1ooh-4o2 ic5h9oh-2ooh-3o2 ic5h9oh-2ooh-4o2 ic5h9oh-3ooh-1o2 ic5h9oh-4ooh-1o2 ic5h9oh-4ooh-2o2 ic5h9oh-4ooh-3o2 ic5h9oho1-3 ic5h9oho1-4 ic5ohket1-2 ic5ohket1-3 ic5ohket1-4 ic5ohket2-3 ic5ohket2-4 ic5ohket4-1 ic5ohket4-2 ic5ohket4-3 ic5ketdc ic5ketdb ic5ketda hoc3h6co c5h11oh-2 c5h10oh-2a c5h10oh-2b c5h10oh-2c c5h10oh-2d c5h10oh-2e c5h11o c5h9oh21-1 c5h9oh21-2 c5h9oh21-3 c5h9oh21-4 c5h8oh2-13 c5h7oh-13 c5h10oh2-ao c5h10oh2-bo c5h10oh2-co c5h10oh2-do c5h10oh2-ao2 c5h10oh2-bo2 c5h10oh2-co2 c5h10oh2-do2 c5h10oh2-eo2 c5h10oh2-aooh c5h10oh2-booh c5h10oh2-cooh c5h10oh2-dooh c5h9oh2-aooh-b c5h9oh2-aooh-c c5h9oh2-aooh-d c5h9oh2-aooh-e c5h9oh2-booh-a c5h9oh2-booh-c c5h9oh2-booh-d c5h9oh2-booh-e c5h9oh2-cooh-a c5h9oh2-cooh-b c5h9oh2-dooh-a c5h9oh2-dooh-b c5h9oh2-dooh-c c5h9oh2-eooh-a c5h9oh2-eooh-b c5h9oh2-eooh-c c5h9oh2-aooh-bo2 c5h9oh2-aooh-co2 c5h9oh2-aooh-do2 c5h9oh2-aooh-eo2 c5h9oh2-booh-ao2 c5h9oh2-booh-co2 c5h9oh2-booh-do2 c5h9oh2-booh-eo2 c5h9oh2-cooh-ao2 c5h9oh2-cooh-bo2 c5h9oh2-dooh-bo2 c5h9oh2-eooh-ao2 c5h9oh2-eooh-co2 c5h9oho2a-c c5h9oho2a-d c5h9oho2b-d c5oh2keta-b c5oh2keta-c c5oh2keta-d c5oh2keta-e c5oh2ketc-a c5oh2ketc-b c5oh2ketd-b c5oh2kete-a c5oh2kete-c c52ket41 c52ket42 c52ket43 c52ket45 nc4h9cho-2 nc4h9co-2 c4h8cho1-2 c4h8cho2-2 c4h8cho3-2 c4h8cho4-2 ic4h8oh-3 c5h11-1 c5h10-1 c5h10-2 c5h81-3 c5h91-3 c5h91-4 c5h91-5 c5h92-5 c5h9o1-3 c5h11o2-1 c5h10ooh1-3 c5h10ooh1-3o2 nc5ket13 c5h10oh-1 o2c5h10oh-1 c6h13-1 c6h12-1 c6h12-3 c6h111-3 c6h112-4 c6h112-5 c6h13o2-1 c6h12ooh1-3 c6h12ooh1-3o2 nc6ket13 nc4h9cho nc4h9co c4h8cho-2 c4h8cho-3 c4h8cho-4 nc3h7coch3 nc3h7coch2 c3h6coch3-1 c3h6coch3-2 c3h6coch3-3 c2h5coc2h5 c2h5coc2h4p nc7h16 c7h15-1 c7h15-2 c7h15-3 c7h15-4 c7h14-1 c7h14-2 c7h14-3 c7h131-3 c7h131-4 c7h131-5 c7h131-6 c7h131-7 c7h132-4 c7h132-7 c7h133-1 c7h133-5 c7h133-6 c7h133-7 c7h13o1-3 c7h13o2-4 c7h13o3-5 c7h15o2-1 c7h15o2-2 c7h15o2-3 c7h15o2-4 c7h15o2h-2 c7h15o2h-3 c7h15o2h-4 c7h15o-1 c7h15o-2 c7h15o-3 c7h15o-4 c7h14ooh1-2 c7h14ooh1-3 c7h14ooh1-4 c7h14ooh2-1 c7h14ooh2-3 c7h14ooh2-4 c7h14ooh2-5 c7h14ooh3-1 c7h14ooh3-2 c7h14ooh3-4 c7h14ooh3-5 c7h14ooh3-6 c7h14ooh4-2 c7h14ooh4-3 c7h14ooh1-3o2 c7h14ooh1-4o2 c7h14ooh2-3o2 c7h14ooh2-4o2 c7h14ooh2-5o2 c7h14ooh3-1o2 c7h14ooh3-2o2 c7h14ooh3-4o2 c7h14ooh3-5o2 c7h14ooh3-6o2 c7h14ooh4-2o2 c7h14ooh4-3o2 c7h14o1-3 c7h14o1-4 c7h14o2-4 c7h14o2-5 c7h14o3-5 nc7ket13 nc7ket14 nc7ket23 nc7ket24 nc7ket25 nc7ket31 nc7ket32 nc7ket34 nc7ket35 nc7ket36 nc7ket42 nc7ket43 c7h14oh-2 c7h14oh-3 o2c7h14oh-2 o2c7h14oh-3 nc4h9coch3 nc4h9coch2 c4h7ooh1-4 c4h7o1-4 c5h9ooh1-4 c5h9o1-4 c5h91-1 c4h7cho1-1 c4h7co1-1 c4h6cho1-13 c6h102-4 etes1 c6h112o2-5 c6h102ooh5-4 c6h102ooh4-5 c5h91o2-3 c5h91o2-4 c5h91o2-5 c5h81ooh3-4 c5h81ooh4-3 c5h81ooh5-3 cy3c5h8o c5h92o2-5 c5h82ooh5-4 ac5h11 bc5h11 dc5h11 ac5h10 bc5h10 cc5h10 ac5h9-a2 ac5h9-c ac5h9-d cc5h9-a cc5h9-b ac5h9o-a2 ac5h9o-c cc5h9o-b ch3chcho bc6h12 cc6h11-b cc6h11o-b ic4h7-i1 yc7h15 xc7h14 yc7h14 xc7h13-x1 xc7h13-z xc7h13-x2 xc7h13-y2 yc7h13-y2 yc7h13-x2 xc7h13o-z yc7h13o-y2 yc7h15o2 yc7h15o2h yc7h15o yc7h14ooh-z yc7h14ooh-y2 yc7h14ooh-x2 yc7h14ooh-x2o2 yc7h14ooh-y2o2 x-y2c7h14o y-yc7h14o acc6h10 acc6h9-a acc6h9-d neoc5h11 neoc5h11o2h neoc5h11o2 neoc5h11o neoc5h10ooh neoc5h10ooh-o2 neoc5h9q2-n neoc5ket neoc5ketox neoc6h12 tc4h9cho tc4h9co c4h7cho2-2 c4h7co2-2 c4h6cho2-24 ch2cchch3 ic3h6chcho ic3h6chco pc7h15 oc7h14 pc7h14 oc7h13-n pc7h15o2 pc7h15o2h pc7h15o ic8h18 ac8h17 bc8h17 cc8h17 dc8h17 ic8h16 jc8h16 ic8h15 ac8h17o2 bc8h17o2 cc8h17o2 dc8h17o2 ac8h17o2h bc8h17o2h cc8h17o2h dc8h17o2h ac8h17o bc8h17o cc8h17o dc8h17o ac8h16ooh-a ac8h16ooh-b ac8h16ooh-c bc8h16ooh-c bc8h16ooh-a bc8h16ooh-d cc8h16ooh-d cc8h16ooh-b cc8h16ooh-a dc8h16ooh-c dc8h16ooh-d dc8h16ooh-b ic8eteraa ic8eterab ic8eterac ic8eterbd ic8eterdd ac8h16ooh-ao2 ac8h16ooh-bo2 ac8h16ooh-co2 bc8h16ooh-co2 bc8h16ooh-ao2 bc8h16ooh-do2 cc8h16ooh-bo2 cc8h16ooh-ao2 dc8h16ooh-co2 dc8h16ooh-do2 dc8h16ooh-bo2 ic8ketaa ic8ketab ic8ketac ic8ketba ic8ketbc ic8ketbd ic8ketdb ic8ketdd dc6h12cho-d ic3h7coc3h7-i ic3h7coc3h6-t tc4h9coc2h4s hc6h12cho yc7h13ooh-x2 yc7h13o-x2 ic3h6chcoch3 ac3h5chcoch3 ic3h6chcoch2 ar he END !-------------------------------------------------------------------------------! REACTIONS h+o2<=>o+oh 1.040e+014 0.000 15286.0 o+h2<=>h+oh 5.080e+004 2.670 6292.0 oh+h2<=>h+h2o 4.380e+013 0.000 6990.0 o+h2o<=>oh+oh 2.970e+006 2.020 13400.0 h2+m<=>h+h+m 4.577e+019 -1.400 104400.0 h2/ 2.50/ h2o/ 12.00/ co/ 1.90/ co2/ 3.80/ ch4/ 2.00/ c2h6/ 3.00/ o+o+m<=>o2+m 6.165e+015 -0.500 0.0 h2/ 2.50/ h2o/ 12.00/ co/ 1.90/ co2/ 3.80/ ch4/ 2.00/ c2h6/ 3.00/ o+h+m<=>oh+m 4.714e+018 -1.000 0.0 h2/ 2.50/ h2o/ 12.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ h+oh+m<=>h2o+m 3.500e+022 -2.000 0.0 h2/ 0.73/ h2o/ 3.65/ ch4/ 2.00/ c2h6/ 3.00/ h+o2(+m)<=>ho2(+m) 4.650e+012 0.440 0.0 low/ 1.737e+019 -1.230 0.0/ troe/ 6.700e-001 1.000e-030 1.000e+030 1.000e+030/ h2/ 1.30/ co/ 1.90/ co2/ 3.80/ h2o/ 10.00/ ch4/ 2.00/ c2h6/ 3.00/ h+o2(+ar)<=>ho2(+ar) 4.650e+012 0.440 0.0 low/ 6.810e+018 -1.200 0.0/ troe/ 7.000e-001 1.000e-030 1.000e+030 1.000e+030/ h+o2(+he)<=>ho2(+he) 4.650e+012 0.440 0.0 low/ 9.192e+018 -1.200 0.0/ troe/ 5.900e-001 1.000e-030 1.000e+030 1.000e+030/ ho2+h<=>oh+oh 7.079e+013 0.000 295.0 h2+o2<=>h+ho2 5.176e+005 2.433 53502.0 ho2+o<=>oh+o2 3.250e+013 0.000 0.0 ho2+oh<=>h2o+o2 2.456e+013 0.000 -497.0 ho2+ho2<=>h2o2+o2 1.300e+011 0.000 -1630.0 dup ho2+ho2<=>h2o2+o2 3.658e+014 0.000 12000.0 dup h2o2(+h2o)<=>oh+oh(+h2o) 2.000e+012 0.900 48749.0 low/ 1.865e+025 -2.300 48749.0/ troe/ 5.100e-001 1.000e-030 1.000e+030/ h2o2(+m)<=>oh+oh(+m) 2.000e+012 0.900 48749.0 low/ 2.490e+024 -2.300 48749.0/ troe/ 4.300e-001 1.000e-030 1.000e+030/ h2o/ 0.00/ co2/ 1.60/ n2/ 1.50/ o2/ 1.20/ h2o2/ 7.70/ h2/ 3.70/ co/ 2.80/ h2o2+h<=>h2o+oh 2.410e+013 0.000 3970.0 h2o2+h<=>h2+ho2 2.150e+010 1.000 6000.0 h2o2+o<=>oh+ho2 9.550e+006 2.000 3970.0 h2o2+oh<=>h2o+ho2 1.740e+012 0.000 318.0 dup h2o2+oh<=>h2o+ho2 7.590e+013 0.000 7269.0 dup co+o(+m)<=>co2(+m) 1.362e+010 0.000 2384.0 low/ 1.173e+024 -2.790 4191.0/ h2/ 2.00/ h2o/ 12.00/ co/ 1.75/ co2/ 3.60/ co+o2<=>co2+o 1.119e+012 0.000 47700.0 co+oh<=>co2+h 7.015e+004 2.053 -355.7 dup co+oh<=>co2+h 5.757e+012 -0.664 331.8 dup co+ho2<=>co2+oh 1.570e+005 2.180 17940.0 hco+m<=>h+co+m 5.700e+011 0.660 14870.0 h2/ 2.00/ h2o/ 12.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ hco+o2<=>co+ho2 7.580e+012 0.000 410.0 hco+h<=>co+h2 7.340e+013 0.000 0.0 hco+o<=>co+oh 3.020e+013 0.000 0.0 hco+o<=>co2+h 3.000e+013 0.000 0.0 hco+oh<=>co+h2o 1.020e+014 0.000 0.0 hco+ho2=>co2+h+oh 3.000e+013 0.000 0.0 hco+hco=>h2+co+co 3.000e+012 0.000 0.0 hco+ch3<=>ch4+co 2.650e+013 0.000 0.0 ch2o+o2<=>hco+ho2 8.070e+015 0.000 53420.0 hco+o2<=>o2cho 1.200e+011 0.000 -1100.0 ch2o+o2cho<=>hco+ho2cho 1.990e+012 0.000 11660.0 ocho+oh<=>ho2cho 2.000e+013 0.000 0.0 h+co2<=>ocho 7.500e+013 0.000 29000.0 hco+hco<=>ch2o+co 1.800e+013 0.000 0.0 h+o+m<=>oh*+m 1.500e+013 0.000 5975.0 h2/ 1.00/ h2o/ 6.50/ o2/ 0.40/ n2/ 0.40/ oh*+h2o<=>oh+h2o 5.930e+012 0.500 -860.0 oh*+h2<=>oh+h2 2.950e+012 0.500 -444.0 oh*+n2<=>oh+n2 1.080e+011 0.500 -1242.0 oh*+oh<=>oh+oh 6.010e+012 0.500 -764.0 oh*+h<=>oh+h 1.310e+012 0.500 -167.0 oh*<=>oh 1.450e+006 0.000 0.0 oh*+o2<=>oh+o2 2.100e+012 0.500 -478.0 oh*+co2<=>oh+co2 2.750e+012 0.500 -968.0 oh*+co<=>oh+co 3.230e+012 0.500 -787.0 oh*+ch4<=>oh+ch4 3.360e+012 0.500 -635.0 ch+o2<=>co+oh* 4.040e+013 0.000 0.0 hco+h(+m)<=>ch2o(+m) 1.090e+012 0.480 -260.0 low/ 1.350e+024 -2.570 1425.0/ troe/ 7.824e-001 2.710e+002 2.755e+003 6.570e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ co+h2(+m)<=>ch2o(+m) 4.300e+007 1.500 79600.0 low/ 5.070e+027 -3.420 84348.0/ troe/ 9.320e-001 1.970e+002 1.540e+003 1.030e+004/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ ch2o+oh<=>hco+h2o 7.820e+007 1.630 -1055.0 ch2o+h<=>hco+h2 5.740e+007 1.900 2740.0 ch2o+o<=>hco+oh 6.260e+009 1.150 2260.0 ch2o+ch3<=>hco+ch4 3.830e+001 3.360 4312.0 ch2o+ho2<=>hco+h2o2 1.880e+004 2.700 11520.0 ch2o+oh<=>hoch2o 4.500e+015 -1.100 0.0 hoch2o<=>hocho+h 1.000e+014 0.000 14900.0 hocho<=>co+h2o 2.450e+012 0.000 60470.0 hocho<=>co2+h2 2.950e+009 0.000 48520.0 ocho+ho2<=>hocho+o2 3.500e+010 0.000 -3275.0 hocho+oh=>h2o+co2+h 2.620e+006 2.060 916.0 hocho+oh=>h2o+co+oh 1.850e+007 1.510 -962.0 hocho+h=>h2+co2+h 4.240e+006 2.100 4868.0 hocho+h=>h2+co+oh 6.030e+013 -0.350 2988.0 hocho+ch3=>ch4+co+oh 3.900e-007 5.800 2200.0 ocho+h2o2<=>hocho+ho2 2.400e+012 0.000 10000.0 hocho+ho2=>h2o2+co+oh 1.000e+012 0.000 11920.0 hocho+o=>co+oh+oh 1.770e+018 -1.900 2975.0 ch2o+ocho<=>hocho+hco 5.600e+012 0.000 13600.0 ch3o(+m)<=>ch2o+h(+m) 6.800e+013 0.000 26170.0 low/ 1.867e+025 -3.000 24307.0/ troe/ 9.000e-001 2.500e+003 1.300e+003 1.000e+099/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ ch3o+o2<=>ch2o+ho2 4.380e-019 9.500 -5501.0 ch2o+ch3o<=>ch3oh+hco 6.620e+011 0.000 2294.0 ch3+ch3oh<=>ch4+ch3o 1.440e+001 3.100 6935.0 ch3o+ch3<=>ch2o+ch4 1.200e+013 0.000 0.0 ch3o+h<=>ch2o+h2 2.000e+013 0.000 0.0 ch3o+ho2<=>ch2o+h2o2 3.010e+011 0.000 0.0 ch2o+h(+m)<=>ch2oh(+m) 5.400e+011 0.454 3600.0 low/ 1.270e+032 -4.820 6530.0/ troe/ 7.187e-001 1.030e+002 1.291e+003 4.160e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ ch2oh+o2<=>ch2o+ho2 1.510e+015 -1.000 0.0 dup ch2oh+o2<=>ch2o+ho2 2.410e+014 0.000 5017.0 dup ch2oh+h<=>ch2o+h2 6.000e+012 0.000 0.0 ch2oh+ho2<=>ch2o+h2o2 1.200e+013 0.000 0.0 ch2oh+hco<=>ch2o+ch2o 1.800e+014 0.000 0.0 ch2oh+ch3o<=>ch2o+ch3oh 2.400e+013 0.000 0.0 ch3oh+hco<=>ch2oh+ch2o 9.630e+003 2.900 13110.0 oh+ch2oh<=>h2o+ch2o 2.400e+013 0.000 0.0 o+ch2oh<=>oh+ch2o 4.200e+013 0.000 0.0 ch2oh+ch2oh<=>ch2o+ch3oh 3.000e+012 0.000 0.0 ch2oh+ho2<=>hoch2o+oh 1.000e+013 0.000 0.0 ch3oh(+m)<=>ch3+oh(+m) 2.084e+018 -0.615 92540.6 low/ 1.500e+043 -6.995 97992.2/ troe/ -4.748e-001 3.558e+004 1.116e+003 9.023e+003/ ch3oh(+m)<=>ch2(s)+h2o(+m) 3.121e+018 -1.017 91712.0 low/ 1.430e+047 -8.227 99417.1/ troe/ 2.545e+000 3.290e+003 4.732e+004 4.711e+004/ ch3oh(+m)<=>ch2oh+h(+m) 7.896e-003 5.038 84467.4 low/ 3.390e+042 -7.244 105230.3/ troe/ -7.391e+001 3.705e+004 4.150e+004 5.220e+003/ ch3oh+h<=>ch2oh+h2 3.070e+005 2.550 5440.0 ch3oh+h<=>ch3o+h2 1.990e+005 2.560 10300.0 ch3oh+o<=>ch2oh+oh 3.880e+005 2.500 3080.0 ch3oh+oh<=>ch2oh+h2o 3.080e+004 2.650 -806.7 ch3oh+oh<=>ch3o+h2o 1.500e+002 3.030 -763.0 ch3oh+o2<=>ch2oh+ho2 2.050e+013 0.000 44900.0 ch3oh+ho2<=>ch2oh+h2o2 1.080e+004 2.550 10530.0 ch3oh+ch3<=>ch2oh+ch4 3.190e+001 3.170 7172.0 ch3o+ch3oh<=>ch2oh+ch3oh 3.000e+011 0.000 4074.0 ch3o+ch3o<=>ch3oh+ch2o 6.030e+013 0.000 0.0 ch3+h(+m)<=>ch4(+m) 1.270e+016 -0.630 383.0 low/ 2.477e+033 -4.760 2440.0/ troe/ 7.830e-001 7.400e+001 2.941e+003 6.964e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ ch4+h<=>ch3+h2 6.140e+005 2.500 9587.0 ch4+oh<=>ch3+h2o 5.830e+004 2.600 2190.0 ch4+o<=>ch3+oh 1.020e+009 1.500 8600.0 ch4+ho2<=>ch3+h2o2 1.695e+001 3.740 21010.0 ch4+ch2<=>ch3+ch3 2.460e+006 2.000 8270.0 ch3+oh<=>ch2(s)+h2o 4.936e+014 -0.669 -445.8 plog/ 0.0100 4.936e+014 -0.669 -445.8/ plog/ 0.1000 1.207e+015 -0.778 -175.6/ plog/ 1.0000 5.282e+017 -1.518 1772.0/ plog/ 10.0000 4.788e+023 -3.155 7003.0/ plog/ 100.0000 8.433e+019 -1.962 8244.0/ ch3+oh<=>ch2o+h2 3.502e+005 1.441 -3244.0 plog/ 0.0100 3.502e+005 1.441 -3244.0/ plog/ 0.1000 8.854e+005 1.327 -2975.0/ plog/ 1.0000 1.650e+007 0.973 -2010.0/ plog/ 10.0000 5.374e+009 0.287 280.0/ plog/ 100.0000 9.494e+018 -2.199 9769.0/ ch3+oh<=>ch2oh+h 1.621e+010 0.965 3210.0 plog/ 0.0100 1.621e+010 0.965 3214.0/ plog/ 0.1000 1.807e+010 0.950 3247.0/ plog/ 1.0000 4.686e+010 0.833 3566.0/ plog/ 10.0000 1.525e+013 0.134 5641.0/ plog/ 100.0000 3.590e+014 -0.186 8601.0/ ch3+oh<=>h+ch3o 1.186e+009 1.016 11940.0 plog/ 0.0100 1.186e+009 1.016 11940.0/ plog/ 0.1000 1.188e+009 1.016 11940.0/ plog/ 1.0000 1.230e+009 1.011 11950.0/ plog/ 10.0000 1.798e+009 0.965 12060.0/ plog/ 100.0000 5.242e+010 0.551 13070.0/ ch3+oh<=>hcoh+h2 8.674e+008 0.787 -3046.0 plog/ 0.0100 8.674e+008 0.787 -3046.0/ plog/ 0.1000 3.115e+009 0.630 -2669.0/ plog/ 1.0000 1.557e+011 0.156 -1368.0/ plog/ 10.0000 1.704e+021 -2.641 6412.0/ plog/ 100.0000 7.250e+020 -2.402 9639.0/ hcoh+oh<=>hco+h2o 2.000e+013 0.000 0.0 hcoh+h<=>ch2o+h 2.000e+014 0.000 0.0 hcoh+o=>co2+h+h 5.000e+013 0.000 0.0 hcoh+o=>co+oh+h 3.000e+013 0.000 0.0 hcoh+o2=>co2+h+oh 5.000e+012 0.000 0.0 hcoh+o2<=>co2+h2o 3.000e+013 0.000 0.0 ch3+ho2<=>ch3o+oh 1.000e+012 0.269 -687.5 ch3+ho2<=>ch4+o2 1.160e+005 2.230 -3022.0 ch3+o<=>ch2o+h 5.540e+013 0.050 -136.0 ch3+o2<=>ch3o+o 7.546e+012 0.000 28320.0 ch3+o2<=>ch2o+oh 2.641e+000 3.283 8105.0 ch3+o2(+m)<=>ch3o2(+m) 7.812e+009 0.900 0.0 low/ 6.850e+024 -3.000 0.0/ troe/ 6.000e-001 1.000e+003 7.000e+001 1.700e+003/ ch3o2+ch2o<=>ch3o2h+hco 1.990e+012 0.000 11660.0 ch4+ch3o2<=>ch3+ch3o2h 9.600e-001 3.770 17810.0 ch3oh+ch3o2<=>ch2oh+ch3o2h 1.810e+012 0.000 13710.0 ch3o2+ch3<=>ch3o+ch3o 5.080e+012 0.000 -1411.0 ch3o2+ho2<=>ch3o2h+o2 2.470e+011 0.000 -1570.0 ch3o2+ch3o2=>ch2o+ch3oh+o2 3.110e+014 -1.610 -1051.0 ch3o2+ch3o2=>o2+ch3o+ch3o 1.400e+016 -1.610 1860.0 ch3o2+h<=>ch3o+oh 9.600e+013 0.000 0.0 ch3o2+o<=>ch3o+o2 3.600e+013 0.000 0.0 ch3o2+oh<=>ch3oh+o2 6.000e+013 0.000 0.0 ch3o2h<=>ch3o+oh 6.310e+014 0.000 42300.0 ch2(s)+n2<=>ch2+n2 1.500e+013 0.000 600.0 ch2(s)+h<=>ch+h2 3.000e+013 0.000 0.0 ch2(s)+o<=>co+h2 1.500e+013 0.000 0.0 ch2(s)+o<=>hco+h 1.500e+013 0.000 0.0 ch2(s)+oh<=>ch2o+h 3.000e+013 0.000 0.0 ch2(s)+h2<=>ch3+h 7.000e+013 0.000 0.0 ch2(s)+o2=>h+oh+co 2.800e+013 0.000 0.0 ch2(s)+o2<=>co+h2o 1.200e+013 0.000 0.0 ch2(s)+h2o<=>ch2+h2o 3.000e+013 0.000 0.0 ch2(s)+co<=>ch2+co 9.000e+012 0.000 0.0 ch2(s)+co2<=>ch2+co2 7.000e+012 0.000 0.0 ch2(s)+co2<=>ch2o+co 1.400e+013 0.000 0.0 ch2+h(+m)<=>ch3(+m) 2.500e+016 -0.800 0.0 low/ 3.200e+027 -3.140 1230.0/ troe/ 6.800e-001 7.800e+001 1.995e+003 5.590e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ ch2+o2<=>hco+oh 1.060e+013 0.000 1500.0 ch2+o2=>co2+h+h 2.640e+012 0.000 1500.0 ch2+o=>co+h+h 5.000e+013 0.000 0.0 ch2+h<=>ch+h2 1.000e+018 -1.560 0.0 dup ch2+oh<=>ch+h2o 1.130e+007 2.000 3000.0 ch+o2<=>hco+o 3.300e+013 0.000 0.0 c+oh<=>co+h 5.000e+013 0.000 0.0 c+o2<=>co+o 5.000e+013 0.000 0.0 ch+h<=>c+h2 1.100e+014 0.000 0.0 ch+o<=>co+h 5.700e+013 0.000 0.0 ch+oh<=>hco+h 3.000e+013 0.000 0.0 ch2+h<=>ch+h2 2.700e+011 0.670 25700.0 dup ch+h2o<=>h+ch2o 1.713e+013 0.000 -755.0 ch+co2<=>hco+co 1.700e+012 0.000 685.0 ch3+ch3(+m)<=>c2h6(+m) 2.277e+015 -0.690 174.9 low/ 8.054e+031 -3.750 981.6/ troe/ 0.000e+000 5.700e+002 1.000e+030 1.000e+030/ h2o/ 5.00/ co/ 2.00/ co2/ 3.00/ c2h5+h(+m)<=>c2h6(+m) 5.210e+017 -0.990 1580.0 low/ 1.990e+041 -7.080 6685.0/ troe/ 8.420e-001 1.250e+002 2.219e+003 6.882e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ c2h6+h<=>c2h5+h2 1.150e+008 1.900 7530.0 c2h6+o<=>c2h5+oh 3.550e+006 2.400 5830.0 c2h6+oh<=>c2h5+h2o 1.480e+007 1.900 950.0 c2h6+o2<=>c2h5+ho2 6.030e+013 0.000 51870.0 c2h6+ch3<=>c2h5+ch4 5.480e-001 4.000 8280.0 c2h6+ho2<=>c2h5+h2o2 3.460e+001 3.610 16920.0 c2h6+ch3o2<=>c2h5+ch3o2h 1.940e+001 3.640 17100.0 c2h6+ch3o<=>c2h5+ch3oh 2.410e+011 0.000 7090.0 c2h6+ch<=>c2h5+ch2 1.100e+014 0.000 -260.0 ch2(s)+c2h6<=>ch3+c2h5 1.200e+014 0.000 0.0 c2h4+h(+m)<=>c2h5(+m) 9.569e+008 1.463 1355.0 low/ 1.419e+039 -6.642 5769.0/ troe/ -5.690e-001 2.990e+002 -9.147e+003 1.524e+002/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ h2+ch3o2<=>h+ch3o2h 1.500e+014 0.000 26030.0 h2+c2h5o2<=>h+c2h5o2h 1.500e+014 0.000 26030.0 c2h4+c2h4<=>c2h5+c2h3 4.820e+014 0.000 71530.0 ch3+c2h5<=>ch4+c2h4 1.180e+004 2.450 -2921.0 ch3+ch3<=>h+c2h5 4.740e+012 0.105 10664.3 plog/ 0.0100 4.740e+012 0.105 10664.3/ plog/ 0.1000 2.570e+013 -0.096 11406.1/ plog/ 1.0000 3.100e+014 -0.362 13372.5/ plog/ 10.0000 2.150e+010 0.885 13532.5/ plog/ 100.0000 1.032e+002 3.230 11236.1/ c2h5+h<=>c2h4+h2 2.000e+012 0.000 0.0 c2h5+o<=>ch3cho+h 1.100e+014 0.000 0.0 c2h5+ho2<=>c2h5o+oh 1.100e+013 0.000 0.0 ch3o2+c2h5<=>ch3o+c2h5o 8.000e+012 0.000 -1000.0 c2h5o+o2<=>ch3cho+ho2 4.280e+010 0.000 1097.0 ch3+ch2o<=>c2h5o 3.000e+011 0.000 6336.0 ch3cho+h<=>c2h5o 4.610e+007 1.710 7090.0 c2h5o2+ch2o<=>c2h5o2h+hco 1.990e+012 0.000 11660.0 ch4+c2h5o2<=>ch3+c2h5o2h 1.810e+011 0.000 18480.0 ch3oh+c2h5o2<=>ch2oh+c2h5o2h 1.810e+012 0.000 13710.0 c2h5o2+ho2<=>c2h5o2h+o2 1.750e+010 0.000 -3275.0 c2h6+c2h5o2<=>c2h5+c2h5o2h 8.600e+000 3.760 17200.0 c2h5o2h<=>c2h5o+oh 6.310e+014 0.000 42300.0 c2h5+o2<=>c2h5o2 3.398e+053 -13.900 9279.0 plog/ 0.0400 3.398e+053 -13.900 9279.0/ plog/ 1.0000 9.362e+059 -15.280 14240.0/ plog/ 10.0000 1.262e+060 -14.910 16240.0/ c2h5+o2<=>c2h4o2h 2.103e+034 -9.010 5444.0 plog/ 0.0400 2.103e+034 -9.010 5444.0/ plog/ 1.0000 4.884e+033 -8.310 7710.0/ plog/ 10.0000 1.705e+045 -11.490 14590.0/ c2h5+o2<=>c2h4+ho2 2.094e+009 0.490 -391.4 dup plog/ 0.0400 2.094e+009 0.490 -391.4/ plog/ 1.0000 1.843e+007 1.130 -720.6/ plog/ 10.0000 7.561e+014 -1.010 4749.0/ c2h5+o2<=>c2h4+ho2 6.609e+000 3.510 14160.0 dup c2h5+o2<=>c2h4o1-2+oh 1.303e+003 1.930 -502.7 plog/ 0.0400 1.303e+003 1.930 -502.7/ plog/ 1.0000 2.438e+002 2.180 -62.5/ plog/ 10.0000 4.621e+009 0.150 5409.0/ c2h5+o2<=>ch3cho+oh 4.908e-006 4.760 254.3 plog/ 0.0400 4.908e-006 4.760 254.3/ plog/ 1.0000 6.803e-002 3.570 2643.0/ plog/ 10.0000 8.265e+002 2.410 5285.0/ c2h4o2h<=>c2h5o2 2.653e-016 6.960 2396.0 plog/ 0.0400 2.653e-016 6.960 2396.0/ plog/ 1.0000 1.064e+041 -10.100 26030.0/ plog/ 10.0000 1.203e+036 -8.130 27020.0/ c2h5o2<=>ch3cho+oh 1.237e+035 -9.420 36360.0 plog/ 0.0400 1.237e+035 -9.420 36360.0/ plog/ 1.0000 1.687e+036 -9.220 38700.0/ plog/ 10.0000 2.520e+041 -10.200 43710.0/ c2h5o2<=>c2h4+ho2 1.782e+032 -7.100 32840.0 plog/ 0.0400 1.782e+032 -7.100 32840.0/ plog/ 1.0000 2.701e+037 -8.470 35840.0/ plog/ 10.0000 1.980e+038 -8.460 37900.0/ c2h5o2<=>c2h4o1-2+oh 5.778e+045 -11.900 4112.0 plog/ 0.0400 5.778e+045 -11.900 4112.0/ plog/ 1.0000 1.916e+043 -10.750 42400.0/ plog/ 10.0000 3.965e+043 -10.460 45580.0/ c2h4o2h<=>c2h4o1-2+oh 8.959e+038 -9.400 20660.0 plog/ 0.0400 8.959e+038 -9.400 20660.0/ plog/ 1.0000 1.224e+037 -8.320 21460.0/ plog/ 10.0000 8.848e+030 -6.080 20660.0/ c2h4o2h<=>c2h4+ho2 3.918e+040 -10.200 22250.0 plog/ 0.0400 3.918e+040 -10.200 22250.0/ plog/ 1.0000 6.825e+040 -9.610 23840.0/ plog/ 10.0000 3.980e+034 -7.250 23250.0/ c2h4o2h<=>ch3cho+oh 5.819e+026 -7.970 20860.0 plog/ 0.0400 5.819e+026 -7.970 20860.0/ plog/ 1.0000 5.520e+034 -9.880 26230.0/ plog/ 10.0000 1.188e+034 -9.020 29210.0/ c2h4o1-2<=>ch3+hco 3.630e+013 0.000 57200.0 c2h4o1-2<=>ch3cho 7.407e+012 0.000 53800.0 c2h4o1-2+oh<=>c2h3o1-2+h2o 1.780e+013 0.000 3610.0 c2h4o1-2+h<=>c2h3o1-2+h2 8.000e+013 0.000 9680.0 c2h4o1-2+ho2<=>c2h3o1-2+h2o2 1.130e+013 0.000 30430.0 c2h4o1-2+ch3o2<=>c2h3o1-2+ch3o2h 1.130e+013 0.000 30430.0 c2h4o1-2+c2h5o2<=>c2h3o1-2+c2h5o2h 1.130e+013 0.000 30430.0 c2h4o1-2+ch3<=>c2h3o1-2+ch4 1.070e+012 0.000 11830.0 c2h4o1-2+ch3o<=>c2h3o1-2+ch3oh 1.200e+011 0.000 6750.0 c2h3o1-2<=>ch3co 8.500e+014 0.000 14000.0 c2h3o1-2<=>ch2cho 1.000e+014 0.000 14000.0 ch3cho(+m)<=>ch3+hco(+m) 2.450e+022 -1.740 86355.0 low/ 1.030e+059 -11.300 95912.5/ troe/ 2.490e-003 7.181e+002 6.089e+000 3.780e+003/ ch3cho(+m)<=>ch4+co(+m) 2.720e+021 -1.740 86355.0 low/ 1.144e+058 -11.300 95912.5/ troe/ 2.490e-003 7.181e+002 6.089e+000 3.780e+003/ ch3cho+h<=>ch3co+h2 1.310e+005 2.580 1220.0 ch3cho+h<=>ch2cho+h2 2.720e+003 3.100 5210.0 ch3cho+o<=>ch3co+oh 5.940e+012 0.000 1868.0 ch3cho+oh<=>ch3co+h2o 3.370e+012 0.000 -619.0 ch3cho+o2<=>ch3co+ho2 3.010e+013 0.000 39150.0 ch3cho+ch3<=>ch3co+ch4 7.080e-004 4.580 1966.0 ch3cho+ho2<=>ch3co+h2o2 3.010e+012 0.000 11920.0 ch3o2+ch3cho<=>ch3o2h+ch3co 3.010e+012 0.000 11920.0 ch3cho+ch3co3<=>ch3co+ch3co3h 3.010e+012 0.000 11920.0 ch3cho+oh<=>ch3+hocho 3.000e+015 -1.076 0.0 ch3cho+oh<=>ch2cho+h2o 1.720e+005 2.400 815.0 ch3co(+m)<=>ch3+co(+m) 1.070e+012 0.630 16900.0 low/ 5.650e+018 -0.970 14600.0/ troe/ 6.290e-001 8.730e+009 5.520e+000 7.600e+007/ ch3co+h<=>ch2co+h2 2.000e+013 0.000 0.0 ch3co+o<=>ch2co+oh 2.000e+013 0.000 0.0 ch3co+ch3<=>ch2co+ch4 5.000e+013 0.000 0.0 ch3co+o2<=>ch3co3 1.200e+011 0.000 -1100.0 ch3co3+ho2<=>ch3co3h+o2 1.750e+010 0.000 -3275.0 h2o2+ch3co3<=>ho2+ch3co3h 2.410e+012 0.000 9936.0 ch4+ch3co3<=>ch3+ch3co3h 1.810e+011 0.000 18480.0 ch2o+ch3co3<=>hco+ch3co3h 1.990e+012 0.000 11660.0 c2h6+ch3co3<=>c2h5+ch3co3h 1.700e+013 0.000 20460.0 ch3co3h<=>ch3co2+oh 5.010e+014 0.000 40150.0 ch3co2+m<=>ch3+co2+m 4.400e+015 0.000 10500.0 ch2cho(+m)<=>ch2co+h(+m) 1.430e+015 -0.150 45600.0 low/ 6.000e+029 -3.800 43423.9/ troe/ 9.850e-001 3.930e+002 9.800e+009 5.000e+009/ ch2cho(+m)<=>ch3+co(+m) 2.930e+012 0.290 40300.0 low/ 9.520e+033 -5.070 41300.0/ troe/ 7.130e-017 1.150e+003 4.990e+009 1.790e+009/ ch2cho+o2<=>o2ch2cho 1.580e+077 -21.900 19350.0 plog/ 0.0100 1.580e+077 -21.900 19350.0/ plog/ 0.1000 3.880e+069 -18.840 19240.0/ plog/ 1.0000 7.800e+059 -15.400 17650.0/ plog/ 10.0000 3.050e+050 -12.200 15630.0/ ch2cho+o2<=>ch2co+ho2 1.880e+005 2.370 23730.0 plog/ 0.0100 1.880e+005 2.370 23730.0/ plog/ 0.1000 1.880e+005 2.370 27370.0/ plog/ 1.0000 2.510e+005 2.330 23800.0/ plog/ 10.0000 7.050e+007 1.630 25290.0/ ch2cho+o2=>ch2o+co+oh 2.680e+017 -1.840 6530.0 plog/ 0.0100 2.680e+017 -1.840 6530.0/ plog/ 0.1000 1.520e+020 -2.580 8980.0/ plog/ 1.0000 1.650e+019 -2.220 10340.0/ plog/ 10.0000 8.953e+013 -0.600 10120.0/ ch2cho+o2<=>ho2ch2co 3.640e+065 -21.870 19020.0 plog/ 0.0100 3.640e+065 -21.870 19020.0/ plog/ 0.1000 3.640e+058 -19.000 19090.0/ plog/ 1.0000 6.650e+048 -15.550 17460.0/ plog/ 10.0000 4.800e+038 -12.140 14960.0/ o2ch2cho<=>ho2ch2co 8.270e+030 -6.650 24500.0 plog/ 0.0100 8.270e+030 -6.650 24500.0/ plog/ 0.1000 1.730e+026 -4.990 23760.0/ plog/ 1.0000 9.030e+019 -2.920 22170.0/ plog/ 10.0000 1.430e+016 -1.670 21210.0/ o2ch2cho<=>ch2co+ho2 2.050e+040 -13.310 52150.0 plog/ 0.0100 2.050e+040 -13.310 52150.0/ plog/ 0.1000 5.720e+045 -14.000 52200.0/ plog/ 1.0000 4.160e+055 -15.760 55080.0/ plog/ 10.0000 1.120e+061 -16.040 60010.0/ ho2ch2co=>co+ch2o+oh 2.360e+017 -2.950 8100.0 plog/ 0.0100 2.360e+017 -2.950 8100.0/ plog/ 0.1000 2.380e+018 -2.950 8100.0/ plog/ 1.0000 2.510e+019 -2.950 8110.0/ plog/ 10.0000 4.160e+020 -3.020 8240.0/ ho2ch2co<=>ch2co+ho2 1.120e+007 -3.760 21680.0 plog/ 0.0100 1.120e+007 -3.760 21680.0/ plog/ 0.1000 1.100e+008 -3.760 21680.0/ plog/ 1.0000 9.200e+008 -3.730 21630.0/ plog/ 10.0000 2.090e+009 -3.550 21220.0/ ch2+co(+m)<=>ch2co(+m) 8.100e+011 0.000 0.0 low/ 2.690e+033 -5.110 7095.0/ troe/ 5.907e-001 2.750e+002 1.226e+003 5.185e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ ch3co(+m)<=>ch2co+h(+m) 9.413e+007 1.917 44987.2 low/ 1.516e+051 -10.270 55390.0/ troe/ 6.009e-001 8.103e+009 6.677e+002 5.000e+009/ ch2co+h<=>hcco+h2 1.401e+015 -0.171 8783.2 ch2co+h<=>ch3+co 7.704e+013 -0.171 4183.2 ch2co+o<=>ch2+co2 1.750e+012 0.000 1350.0 ch2co+o<=>hcco+oh 1.000e+013 0.000 8000.0 ch2co+oh<=>hcco+h2o 1.000e+013 0.000 2000.0 ch2co+oh<=>ch2oh+co 2.000e+012 0.000 -1010.0 ch2co+ch3<=>c2h5+co 4.769e+004 2.312 9468.0 ch2(s)+ch2co<=>c2h4+co 1.600e+014 0.000 0.0 hcco+oh=>h2+co+co 1.000e+014 0.000 0.0 hcco+o=>h+co+co 8.000e+013 0.000 0.0 hcco+h<=>ch2(s)+co 1.000e+014 0.000 0.0 hcco+o2=>oh+co+co 1.910e+011 -0.020 1020.0 hcco+o2=>co2+co+h 4.780e+012 -0.142 1150.0 ch+co+m<=>hcco+m 7.570e+022 -1.900 0.0 ch+ch2o<=>h+ch2co 9.460e+013 0.000 -515.0 ch+hcco<=>co+c2h2 5.000e+013 0.000 0.0 c2h3+h(+m)<=>c2h4(+m) 6.080e+012 0.270 280.0 low/ 1.400e+030 -3.860 3320.0/ troe/ 7.820e-001 2.075e+002 2.663e+003 6.095e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ c2h4(+m)<=>h2+h2cc(+m) 8.000e+012 0.440 88770.0 low/ 7.000e+050 -9.310 99860.0/ troe/ 7.345e-001 1.800e+002 1.035e+003 5.417e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h4+h<=>c2h3+h2 5.070e+007 1.930 12950.0 c2h4+o<=>ch3+hco 7.453e+006 1.880 183.0 c2h4+o<=>ch2cho+h 6.098e+006 1.880 183.0 c2h4+oh<=>c2h3+h2o 2.230e+004 2.745 2215.5 c2h4+oh<=>ch3+ch2o 5.350e+000 2.920 -1732.7 plog/ 0.0100 5.350e+000 2.920 -1732.7/ plog/ 0.0250 3.190e+001 2.710 -1172.3/ plog/ 0.1000 5.550e+002 2.360 -180.8/ plog/ 1.0000 1.780e+005 1.680 2060.5/ plog/ 10.0000 2.370e+009 0.560 6006.7/ plog/ 100.0000 2.760e+013 -0.500 11455.1/ c2h4+oh<=>ch3cho+h 2.370e-007 5.300 -2050.6 plog/ 0.0100 2.370e-007 5.300 -2050.6/ plog/ 0.0250 8.730e-005 4.570 -618.0/ plog/ 0.1000 4.030e-001 3.540 1881.7/ plog/ 1.0000 2.380e-002 3.910 1722.7/ plog/ 10.0000 8.250e+008 1.010 10507.3/ plog/ 100.0000 6.800e+009 0.810 13867.3/ c2h4+oh<=>c2h3oh+h 1.040e+004 2.600 4121.0 plog/ 0.0100 1.040e+004 2.600 4121.0/ plog/ 0.0250 1.070e+004 2.600 4129.0/ plog/ 0.1000 1.520e+004 2.560 4238.3/ plog/ 1.0000 3.190e+005 2.190 5255.6/ plog/ 10.0000 1.940e+008 1.430 7828.8/ plog/ 100.0000 8.550e+010 0.750 11490.8/ c2h4+oh<=>pc2h4oh 1.740e+043 -10.461 7698.7 plog/ 0.0100 1.740e+043 -10.461 7698.7/ plog/ 0.0250 3.250e+037 -8.629 5214.7/ plog/ 0.1000 1.840e+035 -7.750 4908.9/ plog/ 1.0000 2.560e+036 -7.752 6946.1/ plog/ 10.0000 3.700e+033 -6.573 7605.9/ plog/ 100.0000 1.120e+026 -4.101 5757.0/ c2h3oh+o2<=>ch2cho+ho2 5.310e+011 0.210 39830.0 c2h3oh+o<=>ch2cho+oh 1.875e+006 1.900 -860.0 c2h3oh+oh<=>ch2cho+h2o 3.330e+009 1.100 540.5 c2h3oh+ch3<=>ch2cho+ch4 2.030e-008 5.900 1052.0 c2h3oh+ch3o2<=>ch2cho+ch3o2h 3.400e+003 2.500 8922.0 c2h3oh+h<=>ch2cho+h2 1.480e+003 3.077 7220.0 c2h3oh+h<=>pc2h4oh 3.010e+008 1.577 3670.0 c2h3oh+ho2<=>ch3cho+ho2 1.490e+005 1.670 6810.0 c2h3oh<=>ch3cho 7.420e+046 -10.560 67420.0 plog/ 0.1000 7.420e+046 -10.560 67420.0/ plog/ 1.0000 4.420e+042 -9.090 67069.2/ plog/ 100.0000 2.900e+027 -4.350 61612.9/ c2h4+ch3<=>c2h3+ch4 6.620e+000 3.700 9500.0 c2h4+o2<=>c2h3+ho2 4.220e+013 0.000 57623.1 c2h4+ch3o<=>c2h3+ch3oh 1.200e+011 0.000 6750.0 c2h4+ch3o2<=>c2h3+ch3o2h 8.590e+000 3.754 27132.0 c2h4+c2h5o2<=>c2h3+c2h5o2h 8.590e+000 3.754 27132.0 c2h4+ch3co3<=>c2h3+ch3co3h 1.130e+013 0.000 30430.0 c2h4+ch3o2<=>c2h4o1-2+ch3o 2.820e+012 0.000 17110.0 c2h4+c2h5o2<=>c2h4o1-2+c2h5o 2.820e+012 0.000 17110.0 c2h4+ho2<=>c2h4o1-2+oh 5.575e+011 0.000 17190.0 ch+ch4<=>c2h4+h 6.000e+013 0.000 0.0 ch2(s)+ch3<=>c2h4+h 2.000e+013 0.000 0.0 c2h2+h(+m)<=>c2h3(+m) 1.710e+010 1.266 2709.0 low/ 6.346e+031 -4.664 3780.0/ troe/ 7.880e-001 -1.020e+004 1.000e-030/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ c2h3+o2<=>ch2o+hco 1.700e+029 -5.312 6503.1 c2h3+o2<=>ch2cho+o 7.000e+014 -0.611 5262.4 c2h3+o2=>h+co+ch2o 5.190e+015 -1.260 3312.6 ch3+c2h3<=>ch4+c2h2 3.920e+011 0.000 0.0 c2h3+h<=>c2h2+h2 9.000e+013 0.000 0.0 c2h3+h<=>h2cc+h2 6.000e+013 0.000 0.0 c2h3+oh<=>c2h2+h2o 3.011e+013 0.000 0.0 c2h3+c2h3<=>c2h2+c2h4 9.600e+011 0.000 0.0 c2h+h(+m)<=>c2h2(+m) 1.000e+017 0.000 0.0 low/ 3.750e+033 -4.800 1900.0/ troe/ 6.460e-001 1.320e+002 1.315e+003 5.566e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ c2h+o<=>ch+co 5.000e+013 0.000 0.0 c2h+oh<=>h+hcco 2.000e+013 0.000 0.0 c2h+o2<=>hco+co 5.000e+013 0.000 1500.0 c2h+h2<=>h+c2h2 4.900e+005 2.500 560.0 c2h2(+m)<=>h2cc(+m) 8.000e+014 -0.520 50750.0 low/ 2.450e+015 -0.640 49700.0/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h2/ 2.50/ c2h4/ 2.50/ c2h2+o<=>ch2+co 7.395e+008 1.280 2472.0 c2h2+o<=>hcco+h 2.958e+009 1.280 2472.0 c2h2+oh<=>c2h+h2o 2.632e+006 2.140 17060.0 c2h2+oh<=>hccoh+h 2.800e+005 2.280 12420.0 plog/ 0.0100 2.800e+005 2.280 12420.0/ plog/ 0.0250 7.467e+005 2.160 12550.0/ plog/ 0.1000 1.776e+006 2.040 12670.0/ plog/ 1.0000 2.415e+006 2.000 12710.0/ plog/ 10.0000 3.210e+006 1.970 12810.0/ plog/ 100.0000 7.347e+006 1.890 13600.0/ c2h2+oh<=>ch2co+h 1.578e+003 2.560 -844.5 plog/ 0.0100 1.578e+003 2.560 -844.5/ plog/ 0.0250 1.518e+004 2.280 -292.1/ plog/ 0.1000 3.017e+005 1.920 598.1/ plog/ 1.0000 7.528e+006 1.550 2106.0/ plog/ 10.0000 5.101e+006 1.650 3400.0/ plog/ 100.0000 1.457e+004 2.450 4477.0/ c2h2+oh<=>ch3+co 4.757e+005 1.680 -329.8 plog/ 0.0100 4.757e+005 1.680 -329.8/ plog/ 0.0250 4.372e+006 1.400 226.5/ plog/ 0.1000 7.648e+007 1.050 1115.0/ plog/ 1.0000 1.277e+009 0.730 2579.0/ plog/ 10.0000 4.312e+008 0.920 3736.0/ plog/ 100.0000 8.250e+005 1.770 4697.0/ c2h2+hco<=>c2h3+co 1.000e+007 2.000 6000.0 c2h2+ch2<=>c3h3+h 1.200e+013 0.000 6620.0 c2h2+ch2(s)<=>c3h3+h 2.000e+013 0.000 0.0 c2h2+hcco<=>c3h3+co 1.000e+011 0.000 3000.0 h2cc+h<=>c2h2+h 1.000e+014 0.000 0.0 h2cc+oh<=>ch2co+h 2.000e+013 0.000 0.0 h2cc+o2<=>hco+hco 1.000e+013 0.000 0.0 h+hccoh<=>h+ch2co 1.000e+013 0.000 0.0 c2h5oh<=>c2h4+h2o 3.410e+059 -14.200 83672.6 plog/ 0.0010 3.410e+059 -14.200 83672.6/ plog/ 0.0100 2.620e+057 -13.300 85262.2/ plog/ 0.1000 1.650e+052 -11.500 84745.6/ plog/ 1.0000 5.230e+043 -8.900 81506.7/ plog/ 10.0000 4.590e+032 -5.600 76062.4/ plog/ 100.0000 3.840e+020 -2.060 69465.5/ c2h5oh<=>ch3+ch2oh 1.200e+054 -12.900 100005.7 plog/ 0.0010 1.200e+054 -12.900 100005.7/ plog/ 0.0100 5.180e+059 -14.000 99906.4/ plog/ 0.1000 1.620e+066 -15.300 105390.5/ plog/ 1.0000 5.550e+064 -14.500 106183.0/ plog/ 10.0000 1.550e+058 -12.300 105768.0/ plog/ 100.0000 1.780e+047 -8.960 101058.8/ c2h5oh<=>c2h5+oh 8.100e+046 -11.300 111053.4 plog/ 0.0010 8.100e+046 -11.300 111053.4/ plog/ 0.0100 1.860e+056 -13.500 107238.4/ plog/ 0.1000 4.650e+063 -15.000 109622.8/ plog/ 1.0000 4.460e+065 -14.900 112345.0/ plog/ 10.0000 2.790e+061 -13.400 113080.2/ plog/ 100.0000 6.170e+051 -10.300 109940.7/ c2h5oh+o2<=>pc2h4oh+ho2 2.000e+013 0.000 52800.0 c2h5oh+o2<=>sc2h4oh+ho2 1.500e+013 0.000 50150.0 c2h5oh+h<=>sc2h4oh+h2 8.790e+004 2.680 2910.0 c2h5oh+h<=>pc2h4oh+h2 5.310e+004 2.810 7490.0 c2h5oh+h<=>c2h5o+h2 9.450e+002 3.140 8701.1 c2h5oh+oh<=>sc2h4oh+h2o 7.170e+004 2.540 -1534.0 c2h5oh+oh<=>pc2h4oh+h2o 5.700e+000 3.380 -2394.3 c2h5oh+oh<=>c2h5o+h2o 5.810e-003 4.280 -3560.0 c2h5oh+ho2<=>sc2h4oh+h2o2 3.500e-005 5.260 7475.1 c2h5oh+ho2<=>pc2h4oh+h2o2 3.986e-002 4.300 15333.0 c2h5oh+ho2<=>c2h5o+h2o2 6.470e-007 5.300 10533.1 c2h5oh+ch3o2<=>pc2h4oh+ch3o2h 1.230e+004 2.550 15750.0 c2h5oh+ch3o2<=>sc2h4oh+ch3o2h 8.200e+003 2.550 10750.0 c2h5oh+ch3o2<=>c2h5o+ch3o2h 2.500e+012 0.000 24000.0 c2h5oh+o<=>pc2h4oh+oh 9.690e+002 3.230 4658.0 c2h5oh+o<=>sc2h4oh+oh 1.450e+005 2.470 876.0 c2h5oh+o<=>c2h5o+oh 1.460e-003 4.730 1727.0 c2h5oh+ch3<=>pc2h4oh+ch4 3.300e+002 3.300 12290.0 c2h5oh+ch3<=>sc2h4oh+ch4 1.993e+001 3.370 7634.0 c2h5oh+ch3<=>c2h5o+ch4 2.035e+000 3.570 7721.0 c2h5oh+c2h5<=>pc2h4oh+c2h6 5.000e+010 0.000 13400.0 c2h5oh+c2h5<=>sc2h4oh+c2h6 5.000e+010 0.000 10400.0 sc2h4oh<=>ch3cho+h 5.690e+052 -13.380 45049.0 plog/ 0.0010 5.690e+052 -13.380 45049.0/ plog/ 0.0100 3.290e+056 -14.120 48129.0/ plog/ 0.1000 8.580e+057 -14.160 50743.0/ plog/ 1.0000 5.360e+055 -13.150 51886.0/ plog/ 10.0000 1.660e+048 -10.640 50297.0/ plog/ 20.0000 8.260e+044 -9.590 49218.0/ plog/ 50.0000 1.010e+040 -8.060 47439.0/ plog/ 100.0000 1.100e+036 -6.840 45899.0/ sc2h4oh<=>c2h3oh+h 5.400e+046 -11.630 44323.0 plog/ 0.0010 5.400e+046 -11.630 44323.0/ plog/ 0.0100 1.210e+051 -12.550 47240.0/ plog/ 0.1000 2.870e+054 -13.150 50702.0/ plog/ 1.0000 3.790e+053 -12.510 52560.0/ plog/ 10.0000 6.330e+046 -10.200 51441.0/ plog/ 20.0000 3.870e+043 -9.170 50440.0/ plog/ 50.0000 5.080e+038 -7.650 48713.0/ plog/ 100.0000 5.120e+034 -6.410 47182.0/ sc2h4oh<=>c2h5o 5.480e+045 -11.630 44328.0 plog/ 0.0010 5.480e+045 -11.630 44328.0/ plog/ 0.0100 2.540e+049 -12.370 46445.0/ plog/ 0.1000 1.650e+054 -13.400 50330.0/ plog/ 1.0000 1.810e+055 -13.310 53132.0/ plog/ 10.0000 4.580e+049 -11.320 52714.0/ plog/ 20.0000 4.110e+046 -10.330 51834.0/ plog/ 50.0000 6.680e+041 -8.830 50202.0/ plog/ 100.0000 6.540e+037 -7.580 48697.0/ sc2h4oh<=>pc2h4oh 2.650e+036 -8.860 51019.0 plog/ 0.0010 2.650e+036 -8.860 51019.0/ plog/ 0.0100 3.560e+037 -8.890 51114.0/ plog/ 0.1000 4.140e+039 -9.190 51912.0/ plog/ 1.0000 5.820e+044 -10.340 55296.0/ plog/ 10.0000 4.260e+048 -11.060 59458.0/ plog/ 20.0000 8.840e+047 -10.740 59901.0/ plog/ 50.0000 2.230e+045 -9.840 59604.0/ plog/ 100.0000 1.700e+042 -8.830 58737.0/ o2c2h4oh<=>pc2h4oh+o2 3.900e+016 -1.000 30000.0 o2c2h4oh=>oh+ch2o+ch2o 3.125e+009 0.000 18900.0 sc2h4oh+o2<=>ch3cho+ho2 5.260e+017 -1.638 869.0 plog/ 0.0100 5.260e+017 -1.637 838.0/ plog/ 0.1000 5.260e+017 -1.637 838.0/ plog/ 1.0000 5.280e+017 -1.638 839.0/ plog/ 10.0000 1.540e+018 -1.771 1120.0/ plog/ 100.0000 3.780e+020 -2.429 3090.0/ sc2h4oh+o2<=>c2h3oh+ho2 5.512e+003 2.495 -414.0 plog/ 0.0100 5.120e+002 2.496 -414.0/ plog/ 0.1000 5.330e+002 2.490 -402.0/ plog/ 1.0000 7.620e+002 2.446 -296.0/ plog/ 10.0000 8.920e+003 2.146 470.0/ plog/ 100.0000 4.380e+005 1.699 2330.0/ ch3coch3<=>ch3co+ch3 2.050e+058 -12.796 100030.1 plog/ 0.0100 2.050e+058 -12.796 100030.1/ plog/ 0.1000 3.300e+051 -10.574 98221.2/ plog/ 1.0000 1.310e+042 -7.657 94660.6/ plog/ 10.0000 2.160e+033 -4.989 90916.5/ plog/ 100.0000 9.400e+028 -3.669 89022.8/ ch3coch3+oh<=>ch3coch2+h2o 1.250e+005 2.483 445.0 ch3coch3+h<=>ch3coch2+h2 9.800e+005 2.430 5160.0 ch3coch3+o<=>ch3coch2+oh 5.130e+011 0.211 4890.0 ch3coch3+ch3<=>ch3coch2+ch4 3.960e+011 0.000 9784.0 ch3coch3+ch3o<=>ch3coch2+ch3oh 4.340e+011 0.000 6460.0 ch3coch3+o2<=>ch3coch2+ho2 6.030e+013 0.000 48500.0 ch3coch3+ho2<=>ch3coch2+h2o2 1.700e+013 0.000 20460.0 ch3coch3+ch3o2<=>ch3coch2+ch3o2h 1.700e+013 0.000 20460.0 ch2co+ch3<=>ch3coch2 1.760e+004 2.480 6130.0 ch3coch2+o2<=>ch3coch2o2 1.200e+011 0.000 -1100.0 ch3coch3+ch3coch2o2<=>ch3coch2+c3ket21 1.000e+011 0.000 5000.0 ch2o+ch3coch2o2<=>hco+c3ket21 1.288e+011 0.000 9000.0 ho2+ch3coch2o2<=>c3ket21+o2 1.000e+012 0.000 0.0 c2h3+hco<=>c2h3cho 1.810e+013 0.000 0.0 c2h3cho+h<=>c2h3co+h2 1.340e+013 0.000 3300.0 c2h3cho+o<=>c2h3co+oh 5.940e+012 0.000 1868.0 c2h3cho+oh<=>c2h3co+h2o 9.240e+006 1.500 -962.0 c2h3cho+o2<=>c2h3co+ho2 1.005e+013 0.000 40700.0 c2h3cho+ho2<=>c2h3co+h2o2 3.010e+012 0.000 11920.0 c2h3cho+ch3<=>c2h3co+ch4 2.608e+006 1.780 5911.0 c2h3cho+c2h3<=>c2h3co+c2h4 1.740e+012 0.000 8440.0 c2h3cho+ch3o<=>c2h3co+ch3oh 1.000e+012 0.000 3300.0 c2h3cho+ch3o2<=>c2h3co+ch3o2h 3.010e+012 0.000 11920.0 c2h3+co<=>c2h3co 1.510e+011 0.000 4810.0 c2h5+hco<=>c2h5cho 1.810e+013 0.000 0.0 c2h5cho+h<=>c2h5co+h2 4.000e+013 0.000 4200.0 c2h5cho+o<=>c2h5co+oh 5.000e+012 0.000 1790.0 c2h5cho+oh<=>c2h5co+h2o 2.690e+010 0.760 -340.0 c2h5cho+ch3<=>c2h5co+ch4 2.608e+006 1.780 5911.0 c2h5cho+ho2<=>c2h5co+h2o2 2.800e+012 0.000 13600.0 c2h5cho+ch3o<=>c2h5co+ch3oh 1.000e+012 0.000 3300.0 c2h5cho+ch3o2<=>c2h5co+ch3o2h 3.010e+012 0.000 11920.0 c2h5cho+c2h5<=>c2h5co+c2h6 1.000e+012 0.000 8000.0 c2h5cho+c2h5o<=>c2h5co+c2h5oh 6.026e+011 0.000 3300.0 c2h5cho+c2h5o2<=>c2h5co+c2h5o2h 3.010e+012 0.000 11920.0 c2h5cho+o2<=>c2h5co+ho2 1.005e+013 0.000 40700.0 c2h5cho+ch3co3<=>c2h5co+ch3co3h 3.010e+012 0.000 11920.0 c2h5cho+c2h3<=>c2h5co+c2h4 1.700e+012 0.000 8440.0 c2h5+co<=>c2h5co 1.510e+011 0.000 4810.0 ch2ocho+h<=>ch3ocho 1.000e+014 0.000 0.0 ch3oco+h<=>ch3ocho 1.000e+014 0.000 0.0 ch3ocho(+m)<=>ch3oh+co(+m) 1.000e+014 0.000 62500.0 low/ 6.143e+060 -12.070 75400.0/ troe/ 7.800e-001 8.280e+009 4.389e+002 6.700e+008/ ch3o+hco<=>ch3ocho 3.000e+013 0.000 0.0 ch3+ocho<=>ch3ocho 1.000e+013 0.000 0.0 ch3ocho+o2<=>ch3oco+ho2 1.000e+013 0.000 49700.0 ch3ocho+o2<=>ch2ocho+ho2 2.050e+013 0.000 52000.0 ch3ocho+oh<=>ch3oco+h2o 1.580e+007 1.800 934.0 ch3ocho+oh<=>ch2ocho+h2o 5.270e+009 0.970 1586.0 ch3ocho+ho2<=>ch3oco+h2o2 4.820e+003 2.600 13910.0 ch3ocho+ho2<=>ch2ocho+h2o2 2.380e+004 2.550 16490.0 ch3ocho+o<=>ch3oco+oh 2.755e+005 2.450 2830.0 ch3ocho+o<=>ch2ocho+oh 9.800e+005 2.430 4750.0 ch3ocho+h<=>ch3oco+h2 6.500e+005 2.400 4471.0 ch3ocho+h<=>ch2ocho+h2 6.650e+005 2.540 6756.0 ch3ocho+ch3<=>ch3oco+ch4 7.550e-001 3.460 5481.0 ch3ocho+ch3<=>ch2ocho+ch4 4.520e-001 3.650 7154.0 ch3ocho+ch3o<=>ch3oco+ch3oh 5.480e+011 0.000 5000.0 ch3ocho+ch3o<=>ch2ocho+ch3oh 2.170e+011 0.000 6458.0 ch3ocho+ch3o2<=>ch3oco+ch3o2h 4.820e+003 2.600 13910.0 ch3ocho+ch3o2<=>ch2ocho+ch3o2h 2.380e+004 2.550 16490.0 ch3ocho+hco<=>ch3oco+ch2o 5.400e+006 1.900 17010.0 ch3ocho+hco<=>ch2ocho+ch2o 1.025e+005 2.500 18430.0 ch3oco<=>ch2ocho 1.629e+012 -0.180 40670.0 ch3+co2<=>ch3oco 4.760e+007 1.540 34700.0 ch3o+co<=>ch3oco 1.550e+006 2.020 5730.0 ch2o+hco<=>ch2ocho 1.500e+011 0.000 11900.0 c3h8(+m)<=>ch3+c2h5(+m) 1.290e+037 -5.840 97380.0 low/ 5.640e+074 -15.740 98714.0/ troe/ 3.100e-001 5.000e+001 3.000e+003 9.000e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ nc3h7+h<=>c3h8 1.000e+014 0.000 0.0 ic3h7+h<=>c3h8 1.000e+014 0.000 0.0 c3h8+o2<=>ic3h7+ho2 2.000e+013 0.000 49640.0 c3h8+o2<=>nc3h7+ho2 6.000e+013 0.000 52290.0 h+c3h8<=>h2+ic3h7 1.300e+006 2.400 4471.0 h+c3h8<=>h2+nc3h7 3.490e+005 2.690 6450.0 c3h8+o<=>ic3h7+oh 5.490e+005 2.500 3140.0 c3h8+o<=>nc3h7+oh 3.710e+006 2.400 5505.0 c3h8+oh<=>nc3h7+h2o 1.054e+010 0.970 1586.0 c3h8+oh<=>ic3h7+h2o 4.670e+007 1.610 -35.0 c3h8+ho2<=>ic3h7+h2o2 6.320e+001 3.370 13720.0 c3h8+ho2<=>nc3h7+h2o2 4.080e+001 3.590 17160.0 ch3+c3h8<=>ch4+ic3h7 6.400e+004 2.170 7520.0 ch3+c3h8<=>ch4+nc3h7 9.040e-001 3.650 7154.0 ic3h7+c3h8<=>nc3h7+c3h8 3.000e+010 0.000 12900.0 c2h3+c3h8<=>c2h4+ic3h7 1.000e+011 0.000 10400.0 c2h3+c3h8<=>c2h4+nc3h7 1.000e+011 0.000 10400.0 c2h5+c3h8<=>c2h6+ic3h7 1.000e+011 0.000 10400.0 c2h5+c3h8<=>c2h6+nc3h7 1.000e+011 0.000 10400.0 c3h8+c3h5-a<=>nc3h7+c3h6 7.940e+011 0.000 20500.0 c3h8+c3h5-a<=>ic3h7+c3h6 7.940e+011 0.000 16200.0 c3h8+ch3o<=>nc3h7+ch3oh 3.000e+011 0.000 7000.0 c3h8+ch3o<=>ic3h7+ch3oh 3.000e+011 0.000 7000.0 ch3o2+c3h8<=>ch3o2h+nc3h7 1.386e+000 3.970 18280.0 ch3o2+c3h8<=>ch3o2h+ic3h7 1.019e+001 3.580 14810.0 c2h5o2+c3h8<=>c2h5o2h+nc3h7 1.386e+000 3.970 18280.0 c2h5o2+c3h8<=>c2h5o2h+ic3h7 1.019e+001 3.580 14810.0 ic3h7o2+c3h8<=>ic3h7o2h+nc3h7 1.700e+013 0.000 20460.0 ic3h7o2+c3h8<=>ic3h7o2h+ic3h7 2.000e+012 0.000 17000.0 c3h8+ch3co3<=>ic3h7+ch3co3h 2.000e+012 0.000 17000.0 c3h8+ch3co3<=>nc3h7+ch3co3h 1.700e+013 0.000 20460.0 c3h8+o2cho<=>nc3h7+ho2cho 5.520e+004 2.550 16480.0 c3h8+o2cho<=>ic3h7+ho2cho 1.475e+004 2.600 13910.0 h+c3h6<=>ic3h7 4.240e+011 0.510 1230.0 ic3h7+h<=>c2h5+ch3 2.000e+013 0.000 0.0 ic3h7+o2<=>c3h6+ho2 4.500e-019 0.000 5020.0 ic3h7+oh<=>c3h6+h2o 2.410e+013 0.000 0.0 ic3h7+o<=>ch3coch3+h 4.818e+013 0.000 0.0 ic3h7+o<=>ch3cho+ch3 4.818e+013 0.000 0.0 ch3+c2h4<=>nc3h7 1.760e+004 2.480 6130.0 h+c3h6<=>nc3h7 2.500e+011 0.510 2620.0 nc3h7+o2<=>c3h6+ho2 3.000e-019 0.000 3000.0 c2h5cho+nc3h7<=>c2h5co+c3h8 1.700e+012 0.000 8440.0 c2h5cho+ic3h7<=>c2h5co+c3h8 1.700e+012 0.000 8440.0 c2h5cho+c3h5-a<=>c2h5co+c3h6 1.700e+012 0.000 8440.0 c2h3+ch3(+m)<=>c3h6(+m) 2.500e+013 0.000 0.0 low/ 4.270e+058 -11.940 9769.8/ troe/ 1.750e-001 1.341e+003 6.000e+004 1.014e+004/ c3h5-a+h(+m)<=>c3h6(+m) 2.000e+014 0.000 0.0 low/ 1.330e+060 -12.000 5967.8/ troe/ 2.000e-002 1.097e+003 1.097e+003 6.860e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c3h6<=>c3h5-s+h 7.710e+069 -16.090 140000.0 c3h6<=>c3h5-t+h 5.620e+071 -16.580 139300.0 c3h6+o<=>c2h5+hco 1.580e+007 1.760 -1216.0 c3h6+o=>ch2co+ch3+h 2.500e+007 1.760 76.0 c3h6+o=>ch3chco+h+h 2.500e+007 1.760 76.0 c3h6+o<=>c3h5-a+oh 5.240e+011 0.700 5884.0 c3h6+o<=>c3h5-s+oh 1.200e+011 0.700 8959.0 c3h6+o<=>c3h5-t+oh 6.030e+010 0.700 7632.0 c3h6+oh<=>c3h5-a+h2o 1.970e+006 2.200 540.0 c3h6+oh<=>c3h5-s+h2o 2.110e+006 2.000 2778.0 c3h6+oh<=>c3h5-t+h2o 1.110e+006 2.000 1451.0 c3h6+ho2<=>c3h5-a+h2o2 2.700e+004 2.500 12340.0 c3h6+ho2<=>c3h5-s+h2o2 1.800e+004 2.500 27620.0 c3h6+ho2<=>c3h5-t+h2o2 9.000e+003 2.500 23590.0 c3h6+h<=>c3h5-a+h2 1.730e+005 2.500 2492.0 c3h6+h<=>c3h5-s+h2 8.040e+005 2.500 12280.0 c3h6+h<=>c3h5-t+h2 4.050e+005 2.500 9794.0 c3h6+h<=>c2h4+ch3 8.800e+016 -1.050 6461.0 plog/ 0.1000 8.800e+016 -1.050 6461.0/ plog/ 1.0000 8.000e+021 -2.390 11180.0/ plog/ 10.0000 3.300e+024 -3.040 15610.0/ c3h6+o2<=>c3h5-a+ho2 4.000e+012 0.000 39900.0 c3h6+o2<=>c3h5-s+ho2 2.000e+012 0.000 62900.0 c3h6+o2<=>c3h5-t+ho2 1.400e+012 0.000 60700.0 c3h6+ch3<=>c3h5-a+ch4 2.210e+000 3.500 5675.0 c3h6+ch3<=>c3h5-s+ch4 1.348e+000 3.500 12850.0 c3h6+ch3<=>c3h5-t+ch4 8.400e-001 3.500 11660.0 c3h6+c2h5<=>c3h5-a+c2h6 1.000e+011 0.000 9800.0 c3h6+ch3co3<=>c3h5-a+ch3co3h 3.240e+011 0.000 14900.0 c3h6+ch3o2<=>c3h5-a+ch3o2h 3.240e+011 0.000 14900.0 c3h6+ho2<=>c3h6o1-2+oh 1.290e+012 0.000 14900.0 c3h6+c2h5o2<=>c3h5-a+c2h5o2h 3.240e+011 0.000 14900.0 c3h6+ic3h7o2<=>c3h5-a+ic3h7o2h 3.240e+011 0.000 14900.0 c3h6+oh<=>c3h6oh 9.930e+011 0.000 -960.0 c3h6oh+o2<=>hoc3h6o2 1.200e+011 0.000 -1100.0 hoc3h6o2=>ch3cho+ch2o+oh 1.250e+010 0.000 18900.0 c2h2+ch3<=>c3h5-a 8.200e+053 -13.320 33200.0 plog/ 0.1000 8.200e+053 -13.320 33200.0/ plog/ 1.0000 2.680e+053 -12.820 35730.0/ plog/ 2.0000 3.640e+052 -12.460 36127.0/ plog/ 5.0000 1.040e+051 -11.890 36476.0/ plog/ 10.0000 4.400e+049 -11.400 36700.0/ plog/ 100.0000 3.800e+044 -9.630 37600.0/ c3h4-a+h<=>c3h5-a 9.600e+061 -14.670 26000.0 plog/ 0.1000 9.600e+061 -14.670 26000.0/ plog/ 1.0000 1.520e+059 -13.540 26949.0/ plog/ 2.0000 3.780e+057 -12.980 26785.0/ plog/ 5.0000 7.340e+054 -12.090 26187.0/ plog/ 10.0000 2.400e+052 -11.300 25400.0/ plog/ 100.0000 6.900e+041 -8.060 21300.0/ c3h5-a+ho2<=>c3h5o+oh 7.000e+012 0.000 -1000.0 c3h5-a+ch3o2<=>c3h5o+ch3o 7.000e+012 0.000 -1000.0 c3h5-a+h<=>c3h4-a+h2 1.232e+003 3.035 2582.0 c3h5-a+o<=>c2h3cho+h 6.000e+013 0.000 0.0 c3h5-a+oh=>c2h3cho+h+h 5.300e+037 -6.710 29306.0 plog/ 0.1000 5.300e+037 -6.710 29306.0/ plog/ 1.0000 4.200e+032 -5.160 30126.0/ plog/ 10.0000 1.600e+020 -1.560 26330.0/ c3h5-a+oh<=>c3h4-a+h2o 6.000e+012 0.000 0.0 c3h5-a+ch3<=>c3h4-a+ch4 3.000e+012 -0.320 -131.0 c3h5-a+c2h5<=>c2h6+c3h4-a 4.000e+011 0.000 0.0 c3h5-a+c2h5<=>c2h4+c3h6 4.000e+011 0.000 0.0 c3h5-a+c2h3<=>c2h4+c3h4-a 1.000e+012 0.000 0.0 c3h5-a+c3h5-a<=>c3h4-a+c3h6 8.430e+010 0.000 -262.0 c3h5-a+o2<=>c3h4-a+ho2 4.990e+015 -1.400 22428.0 plog/ 1.0000 4.990e+015 -1.400 22428.0/ plog/ 10.0000 2.180e+021 -2.850 30755.0/ c3h5-a+o2<=>ch3co+ch2o 1.190e+015 -1.010 20128.0 plog/ 1.0000 1.190e+015 -1.010 20128.0/ plog/ 10.0000 7.140e+015 -1.210 21046.0/ c3h5-a+o2<=>c2h3cho+oh 1.820e+013 -0.410 22859.0 plog/ 1.0000 1.820e+013 -0.410 22859.0/ plog/ 10.0000 2.470e+013 -0.450 23017.0/ c3h5-a+hco<=>c3h6+co 6.000e+013 0.000 0.0 c2h3+ch3<=>c3h5-a+h 1.500e+024 -2.830 18618.0 c3h5-a<=>c3h5-t 3.900e+059 -15.420 75400.0 plog/ 0.1000 3.900e+059 -15.420 75400.0/ plog/ 1.0000 7.060e+056 -14.080 75868.0/ plog/ 2.0000 4.800e+055 -13.590 75949.0/ plog/ 5.0000 4.860e+053 -12.810 75883.0/ plog/ 10.0000 6.400e+051 -12.120 75700.0/ plog/ 100.0000 2.800e+043 -9.270 74000.0/ c3h5-a<=>c3h5-s 1.300e+055 -14.530 73800.0 plog/ 0.1000 1.300e+055 -14.530 73800.0/ plog/ 1.0000 5.000e+051 -13.020 73300.0/ plog/ 10.0000 9.700e+048 -11.730 73700.0/ plog/ 100.0000 4.860e+044 -9.840 73400.0/ c2h2+ch3<=>c3h5-s 1.400e+032 -7.140 10000.0 plog/ 0.1000 1.400e+032 -7.140 10000.0/ plog/ 1.0000 3.200e+035 -7.760 13300.0/ plog/ 10.0000 2.400e+038 -8.210 17100.0/ plog/ 100.0000 1.400e+039 -8.060 20200.0/ c3h5-s+o2<=>ch3cho+hco 1.000e+011 0.000 0.0 c3h5-s+h<=>c3h4-a+h2 3.333e+012 0.000 0.0 c3h5-s+ch3<=>c3h4-a+ch4 1.000e+011 0.000 0.0 c2h2+ch3<=>c3h5-t 6.800e+020 -4.160 18000.0 plog/ 0.1000 6.800e+020 -4.160 18000.0/ plog/ 1.0000 4.990e+022 -4.390 18850.0/ plog/ 2.0000 6.000e+023 -4.600 19571.0/ plog/ 5.0000 7.310e+025 -5.060 21150.0/ plog/ 10.0000 9.300e+027 -5.550 22900.0/ plog/ 100.0000 3.800e+036 -7.580 31300.0/ c3h4-a+h<=>c3h5-t 9.200e+038 -8.650 7000.0 plog/ 0.1000 9.200e+038 -8.650 7000.0/ plog/ 1.0000 9.460e+042 -9.430 11190.0/ plog/ 2.0000 8.470e+043 -9.590 12462.0/ plog/ 5.0000 6.980e+044 -9.700 14032.0/ plog/ 10.0000 1.500e+045 -9.690 15100.0/ plog/ 100.0000 1.800e+043 -8.780 16800.0/ c3h4-p+h<=>c3h5-t 4.600e+044 -10.210 10200.0 plog/ 0.1000 4.600e+044 -10.210 10200.0/ plog/ 1.0000 1.660e+047 -10.580 13690.0/ plog/ 2.0000 5.040e+047 -10.610 14707.0/ plog/ 5.0000 9.620e+047 -10.550 15910.0/ plog/ 10.0000 7.000e+047 -10.400 16600.0/ plog/ 100.0000 3.200e+044 -9.110 17400.0/ c3h5-s+h<=>c3h4-p+h2 3.340e+012 0.000 0.0 c3h5-s+o<=>c2h4+hco 6.000e+013 0.000 0.0 c3h5-s+oh=>c2h4+hco+h 5.000e+012 0.000 0.0 c3h5-s+ho2=>c2h4+hco+oh 2.000e+013 0.000 0.0 c3h5-s+hco<=>c3h6+co 9.000e+013 0.000 0.0 c3h5-s+ch3<=>c3h4-p+ch4 1.000e+011 0.000 0.0 c3h5-t<=>c3h5-s 1.600e+044 -12.160 52200.0 plog/ 0.1000 1.600e+044 -12.160 52200.0/ plog/ 1.0000 1.500e+048 -12.710 53900.0/ plog/ 10.0000 5.100e+052 -13.370 57200.0/ plog/ 100.0000 5.800e+051 -12.430 59200.0/ c3h4-a+h<=>c3h5-s 1.100e+030 -6.520 15200.0 plog/ 0.1000 1.100e+030 -6.520 15200.0/ plog/ 1.0000 5.400e+029 -6.090 16300.0/ plog/ 10.0000 2.600e+031 -6.230 18700.0/ plog/ 100.0000 3.200e+031 -5.880 21500.0/ c3h4-a+c3h4-a<=>c3h5-a+c3h3 5.000e+014 0.000 64746.7 c3h5-t+o2<=>c3h4-a+ho2 1.890e+030 -5.590 15540.0 c3h5-t+o2<=>ch3coch2+o 3.810e+017 -1.360 5580.0 c3h5-t+o2<=>ch3co+ch2o 1.000e+011 0.000 0.0 c3h5-t+h<=>c3h4-p+h2 3.340e+012 0.000 0.0 c3h5-t+ch3<=>c3h4-p+ch4 1.000e+011 0.000 0.0 c3h5-t+o<=>ch3+ch2co 6.000e+013 0.000 0.0 c3h5-t+oh=>ch3+ch2co+h 5.000e+012 0.000 0.0 c3h5-t+ho2=>ch3+ch2co+oh 2.000e+013 0.000 0.0 c3h5-t+hco<=>c3h6+co 9.000e+013 0.000 0.0 c3h4-p<=>c3h4-a 6.400e+061 -14.590 88200.0 plog/ 0.1000 6.400e+061 -14.590 88200.0/ plog/ 0.4000 5.810e+062 -14.630 91211.0/ plog/ 1.0000 5.150e+060 -13.930 91117.0/ plog/ 2.0000 7.640e+059 -13.590 91817.0/ plog/ 5.0000 3.120e+058 -13.070 92680.0/ plog/ 10.0000 1.900e+057 -12.620 93300.0/ plog/ 100.0000 1.400e+052 -10.860 95400.0/ c3h3+ho2<=>c3h4-a+o2 3.000e+011 0.000 0.0 c3h4-a+ho2=>ch2co+ch2+oh 4.000e+012 0.000 19000.0 c3h4-a+oh<=>ch2co+ch3 3.120e+012 0.000 -397.0 c3h4-a+oh<=>c3h3+h2o 5.300e+006 2.000 2000.0 c3h4-a+o<=>c2h4+co 2.000e+007 1.800 1000.0 c3h4-a+o<=>c2h2+ch2o 3.000e-003 4.610 -4243.0 c3h4-a+h<=>c3h3+h2 1.300e+006 2.000 5500.0 c3h4-a+ch3<=>c3h3+ch4 1.300e+012 0.000 7700.0 c3h4-a+c3h5-a<=>c3h3+c3h6 2.000e+011 0.000 7700.0 c3h4-a+c2h<=>c2h2+c3h3 1.000e+013 0.000 0.0 c3h4-p+h<=>c3h4-a+h 2.300e+015 -0.260 7600.0 plog/ 0.1000 2.300e+015 -0.260 7600.0/ plog/ 1.0000 6.270e+017 -0.910 10079.0/ plog/ 2.0000 1.500e+018 -1.000 10756.0/ plog/ 5.0000 1.930e+018 -1.010 11523.0/ plog/ 10.0000 3.100e+022 -2.180 14800.0/ plog/ 100.0000 6.400e+027 -3.580 21200.0/ c3h4-p+h<=>c3h5-s 1.000e+025 -5.000 1800.0 plog/ 0.1000 1.000e+025 -5.000 1800.0/ plog/ 1.0000 5.500e+028 -5.740 4300.0/ plog/ 10.0000 1.000e+034 -6.880 8900.0/ plog/ 100.0000 9.700e+037 -7.630 13800.0/ c3h4-p+h<=>c3h5-a 1.100e+060 -14.560 28100.0 plog/ 0.1000 1.100e+060 -14.560 28100.0/ plog/ 1.0000 4.910e+060 -14.370 31644.0/ plog/ 2.0000 3.040e+060 -14.190 32642.0/ plog/ 5.0000 9.020e+059 -13.890 33953.0/ plog/ 10.0000 2.200e+059 -13.610 34900.0/ plog/ 100.0000 1.600e+055 -12.070 37500.0/ c3h4-p+h<=>c3h3+h2 1.300e+006 2.000 5500.0 c3h4-p+c3h3<=>c3h4-a+c3h3 6.140e+006 1.740 10450.0 c3h4-p+o<=>hcco+ch3 7.300e+012 0.000 2250.0 c3h4-p+o<=>c2h4+co 1.000e+013 0.000 2250.0 c3h4-p+oh<=>c3h3+h2o 1.000e+006 2.000 100.0 c3h4-p+c2h<=>c2h2+c3h3 1.000e+013 0.000 0.0 c3h4-p+ch3<=>c3h3+ch4 1.800e+012 0.000 7700.0 c2h2+ch3<=>c3h4-p+h 4.500e+006 1.860 11600.0 plog/ 0.1000 4.500e+006 1.860 11600.0/ plog/ 1.0000 2.560e+009 1.100 13644.0/ plog/ 2.0000 2.070e+010 0.850 14415.0/ plog/ 5.0000 2.510e+011 0.560 15453.0/ plog/ 10.0000 1.100e+012 0.390 16200.0/ plog/ 100.0000 2.100e+012 0.370 18100.0/ c3h3+h<=>c3h4-p 1.500e+013 0.000 0.0 c3h3+h<=>c3h4-a 2.500e+012 0.000 0.0 c2h+ch3<=>c3h4-p 8.000e+013 0.000 0.0 c3h3+ho2<=>c3h4-p+o2 2.500e+012 0.000 0.0 c3h4-p+ho2=>c2h4+co+oh 3.000e+012 0.000 19000.0 c3h4-p+oh<=>ch2co+ch3 5.000e-004 4.500 -1000.0 c3h4-p+o<=>c2h3+hco 3.200e+012 0.000 2010.0 c3h4-p+o<=>c3h3+oh 7.650e+008 1.500 8600.0 c3h4-p+c2h3<=>c3h3+c2h4 1.000e+012 0.000 7700.0 c3h4-p+c3h5-a<=>c3h3+c3h6 1.000e+012 0.000 7700.0 c3h3+o<=>ch2o+c2h 2.000e+013 0.000 0.0 c3h3+o2<=>ch2co+hco 3.000e+010 0.000 2868.0 c3h3+ho2=>oh+co+c2h3 8.000e+011 0.000 0.0 c3h3+hco<=>c3h4-a+co 2.500e+013 0.000 0.0 c3h3+hco<=>c3h4-p+co 2.500e+013 0.000 0.0 c2h5+c2h<=>c3h3+ch3 1.810e+013 0.000 0.0 c3h4-a+ho2=>c2h4+co+oh 1.000e+012 0.000 14000.0 c3h4-a+ho2<=>c3h3+h2o2 3.000e+013 0.000 14000.0 c2h2+ch3<=>c3h4-a+h 2.400e+009 0.910 20700.0 plog/ 0.1000 2.400e+009 0.910 20700.0/ plog/ 1.0000 5.140e+009 0.860 22153.0/ plog/ 2.0000 1.330e+010 0.750 22811.0/ plog/ 5.0000 9.200e+010 0.540 23950.0/ plog/ 10.0000 5.100e+011 0.350 25000.0/ plog/ 100.0000 7.300e+012 0.110 28500.0/ ch3chco+oh<=>c2h5+co2 1.730e+012 0.000 -1010.0 ch3chco+oh<=>sc2h4oh+co 2.000e+012 0.000 -1010.0 ch3chco+h<=>c2h5+co 4.400e+012 0.000 1459.0 ch3chco+o<=>ch3cho+co 3.200e+012 0.000 -437.0 nc3h7+ho2<=>nc3h7o+oh 7.000e+012 0.000 -1000.0 ic3h7+ho2<=>ic3h7o+oh 7.000e+012 0.000 -1000.0 ch3o2+nc3h7<=>ch3o+nc3h7o 7.000e+012 0.000 -1000.0 ch3o2+ic3h7<=>ch3o+ic3h7o 7.000e+012 0.000 -1000.0 nc3h7+o2<=>nc3h7o2 4.520e+012 0.000 0.0 ic3h7+o2<=>ic3h7o2 7.540e+012 0.000 0.0 ic3h7o2+ch2o<=>ic3h7o2h+hco 5.600e+012 0.000 13600.0 ic3h7o2+ch3cho<=>ic3h7o2h+ch3co 2.800e+012 0.000 13600.0 ic3h7o2+ho2<=>ic3h7o2h+o2 1.750e+010 0.000 -3275.0 c2h4+ic3h7o2<=>c2h3+ic3h7o2h 1.130e+013 0.000 30430.0 ch3oh+ic3h7o2<=>ch2oh+ic3h7o2h 6.300e+012 0.000 19360.0 c2h3cho+ic3h7o2<=>c2h3co+ic3h7o2h 2.800e+012 0.000 13600.0 ch4+ic3h7o2<=>ch3+ic3h7o2h 1.120e+013 0.000 24640.0 nc3h7o2+ch3o2=>nc3h7o+ch3o+o2 1.400e+016 -1.610 1860.0 ic3h7o2+ch3o2=>ic3h7o+ch3o+o2 1.400e+016 -1.610 1860.0 h2+ic3h7o2<=>h+ic3h7o2h 3.010e+013 0.000 26030.0 ic3h7o2+c2h6<=>ic3h7o2h+c2h5 1.700e+013 0.000 20460.0 ic3h7o2+c2h5cho<=>ic3h7o2h+c2h5co 2.000e+011 0.000 9500.0 ic3h7o2+ch3co3=>ic3h7o+ch3co2+o2 1.400e+016 -1.610 1860.0 nc3h7o2+ch3co3=>nc3h7o+ch3co2+o2 1.400e+016 -1.610 1860.0 ic3h7o2+c2h5o2=>ic3h7o+c2h5o+o2 1.400e+016 -1.610 1860.0 nc3h7o2+c2h5o2=>nc3h7o+c2h5o+o2 1.400e+016 -1.610 1860.0 ic3h7o2+ic3h7o2=>o2+ic3h7o+ic3h7o 1.400e+016 -1.610 1860.0 nc3h7o2+nc3h7o2=>o2+nc3h7o+nc3h7o 1.400e+016 -1.610 1860.0 ic3h7o2+nc3h7o2=>ic3h7o+nc3h7o+o2 1.400e+016 -1.610 1860.0 ic3h7o2+ch3<=>ic3h7o+ch3o 7.000e+012 0.000 -1000.0 ic3h7o2+c2h5<=>ic3h7o+c2h5o 7.000e+012 0.000 -1000.0 ic3h7o2+ic3h7<=>ic3h7o+ic3h7o 7.000e+012 0.000 -1000.0 ic3h7o2+nc3h7<=>ic3h7o+nc3h7o 7.000e+012 0.000 -1000.0 ic3h7o2+c3h5-a<=>ic3h7o+c3h5o 7.000e+012 0.000 -1000.0 nc3h7o2+ch3<=>nc3h7o+ch3o 7.000e+012 0.000 -1000.0 nc3h7o2+c2h5<=>nc3h7o+c2h5o 7.000e+012 0.000 -1000.0 nc3h7o2+ic3h7<=>nc3h7o+ic3h7o 7.000e+012 0.000 -1000.0 nc3h7o2+nc3h7<=>nc3h7o+nc3h7o 7.000e+012 0.000 -1000.0 nc3h7o2+c3h5-a<=>nc3h7o+c3h5o 7.000e+012 0.000 -1000.0 ic3h7o+oh<=>ic3h7o2h 1.000e+015 -0.800 0.0 c2h5+ch2o<=>nc3h7o 1.000e+011 0.000 3496.0 c2h5cho+h<=>nc3h7o 4.000e+012 0.000 6260.0 ch3+ch3cho<=>ic3h7o 1.000e+011 0.000 9256.0 ch3coch3+h<=>ic3h7o 2.000e+012 0.000 7270.0 ic3h7o+o2<=>ch3coch3+ho2 9.090e+009 0.000 390.0 nc3h7o2<=>c3h6ooh1-2 6.000e+011 0.000 26850.0 nc3h7o2<=>c3h6ooh1-3 1.125e+011 0.000 24400.0 ic3h7o2<=>c3h6ooh2-1 1.800e+012 0.000 29400.0 c3h6ooh1-2<=>c3h6o1-2+oh 6.000e+011 0.000 22000.0 c3h6ooh1-3<=>c3h6o1-3+oh 7.500e+010 0.000 15250.0 c3h6ooh2-1<=>c3h6o1-2+oh 6.000e+011 0.000 22000.0 c3h6+ho2<=>c3h6ooh1-2 1.000e+011 0.000 11000.0 c3h6+ho2<=>c3h6ooh2-1 1.000e+011 0.000 11750.0 c3h6ooh1-3=>oh+ch2o+c2h4 3.035e+015 -0.790 27400.0 c3h6ooh2-1<=>c2h3ooh+ch3 6.540e+027 -5.140 38320.0 c3h6ooh1-2=>c2h4+ch2o+oh 1.310e+033 -7.010 48120.0 c3h6ooh1-3+o2<=>c3h6ooh1-3o2 4.520e+012 0.000 0.0 c3h6ooh2-1+o2<=>c3h6ooh2-1o2 4.520e+012 0.000 0.0 c3h6ooh1-3o2<=>c3ket13+oh 7.500e+010 0.000 21400.0 c3h6ooh2-1o2<=>c3ket21+oh 3.000e+011 0.000 23850.0 c3h6ooh1-3o2<=>c3h52-1,3ooh 6.000e+011 0.000 26850.0 c3h52-1,3ooh<=>ac3h5ooh+ho2 1.150e+014 -0.630 17250.0 c3ket13=>ch2o+ch2cho+oh 1.000e+016 0.000 43000.0 c3ket21=>ch2o+ch3co+oh 1.000e+016 0.000 43000.0 c3h5o+oh<=>ac3h5ooh 2.000e+013 0.000 0.0 c3h5o<=>c2h3cho+h 1.000e+014 0.000 29100.0 c2h3+ch2o<=>c3h5o 1.500e+011 0.000 10600.0 c3h5o+o2<=>c2h3cho+ho2 1.000e+012 0.000 6000.0 c2h3ooh<=>ch2cho+oh 8.400e+014 0.000 43000.0 c3h6o1-2<=>c2h4+ch2o 6.000e+014 0.000 60000.0 c3h6o1-2+oh=>ch2o+c2h3+h2o 5.000e+012 0.000 0.0 c3h6o1-2+h=>ch2o+c2h3+h2 2.630e+007 2.000 5000.0 c3h6o1-2+o=>ch2o+c2h3+oh 8.430e+013 0.000 5200.0 c3h6o1-2+ho2=>ch2o+c2h3+h2o2 1.000e+013 0.000 15000.0 c3h6o1-2+ch3o2=>ch2o+c2h3+ch3o2h 1.000e+013 0.000 19000.0 c3h6o1-2+ch3=>ch2o+c2h3+ch4 2.000e+011 0.000 10000.0 c3h6o1-3<=>c2h4+ch2o 6.000e+014 0.000 60000.0 c3h6o1-3+oh=>ch2o+c2h3+h2o 5.000e+012 0.000 0.0 c3h6o1-3+o=>ch2o+c2h3+oh 8.430e+013 0.000 5200.0 c3h6o1-3+h=>ch2o+c2h3+h2 2.630e+007 2.000 5000.0 c3h6o1-3+ch3o2=>ch2o+c2h3+ch3o2h 1.000e+013 0.000 19000.0 c3h6o1-3+ho2=>ch2o+c2h3+h2o2 1.000e+013 0.000 15000.0 c3h6o1-3+ch3=>ch2o+c2h3+ch4 2.000e+011 0.000 10000.0 ic3h7o2<=>c3h6+ho2 1.196e+043 -9.430 41530.0 nc3h7o2<=>c3h6+ho2 4.308e+036 -7.500 39510.0 pc4h9o2+c3h8<=>pc4h9o2h+nc3h7 1.700e+013 0.000 20460.0 pc4h9o2+c3h8<=>pc4h9o2h+ic3h7 2.000e+012 0.000 17000.0 sc4h9o2+c3h8<=>sc4h9o2h+nc3h7 1.700e+013 0.000 20460.0 sc4h9o2+c3h8<=>sc4h9o2h+ic3h7 2.000e+012 0.000 17000.0 pc4h9<=>sc4h9 3.560e+010 0.880 37300.0 dup pc4h9<=>sc4h9 3.800e+010 0.670 36600.0 dup c2h5+c2h4<=>pc4h9 1.320e+004 2.480 6130.0 c3h6+ch3<=>sc4h9 1.760e+004 2.480 6130.0 c4h8-1+h<=>pc4h9 2.500e+011 0.510 2620.0 c4h8-2+h<=>sc4h9 2.500e+011 0.510 2620.0 c4h8-1+h<=>sc4h9 4.240e+011 0.510 1230.0 pc4h9+o2<=>c4h8-1+ho2 8.370e-001 3.590 11960.0 sc4h9+o2<=>c4h8-1+ho2 5.350e-001 3.710 9322.0 sc4h9+o2<=>c4h8-2+ho2 1.070e+000 3.710 9322.0 c2h3+c2h5<=>c4h8-1 9.000e+012 0.000 0.0 c3h5-a+ch3(+m)<=>c4h8-1(+m) 1.000e+014 -0.320 -262.3 low/ 3.910e+060 -12.810 6250.0/ troe/ 1.040e-001 1.606e+003 6.000e+004 6.118e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ h+c4h71-3<=>c4h8-1 5.000e+013 0.000 0.0 c4h8-1+o2<=>c4h71-3+ho2 2.000e+013 0.000 37190.0 c4h8-1+o<=>c4h71-3+oh 1.750e+011 0.700 5884.0 c4h8-2+o<=>c4h71-3+oh 2.190e+011 0.810 7550.0 c4h8-1+h<=>c4h71-3+h2 1.730e+005 2.500 2492.0 c4h8-1+h<=>c4h71-4+h2 6.651e+005 2.540 6756.0 c4h8-1+oh<=>c4h71-1+h2o 9.000e+005 2.000 2500.0 c4h8-1+oh<=>c4h71-2+h2o 2.220e+006 2.000 1451.0 c4h8-1+oh<=>c4h71-3+h2o 3.120e+006 2.000 -298.0 c4h8-1+oh<=>c4h71-4+h2o 5.270e+009 0.970 1586.0 c4h8-1+ch3<=>c4h71-3+ch4 2.210e+000 3.500 5675.0 c4h8-1+ch3<=>c4h71-4+ch4 4.520e-001 3.650 7154.0 c4h8-1+ho2<=>c4h71-3+h2o2 2.700e+004 0.700 5884.0 c4h8-1+ho2<=>c4h71-4+h2o2 2.380e+003 2.550 16490.0 c4h8-1+ch3o2<=>c4h71-3+ch3o2h 2.700e+004 0.700 5884.0 c4h8-1+ch3o2<=>c4h71-4+ch3o2h 2.380e+003 2.550 16490.0 c4h8-1+ch3o<=>c4h71-3+ch3oh 4.000e+001 2.900 8609.0 c4h8-1+ch3o<=>c4h71-4+ch3oh 2.170e+011 0.000 6458.0 c4h8-1+ch3co3<=>c4h71-3+ch3co3h 1.000e+011 0.000 8000.0 c4h8-1+c3h5-a<=>c4h71-3+c3h6 7.900e+010 0.000 12400.0 c4h71-3+c4h71-3<=>c4h8-1+c4h6 1.600e+012 0.000 0.0 c4h8-1+c2h5o2<=>c4h71-3+c2h5o2h 1.400e+012 0.000 14900.0 c4h8-1+ic3h7o2<=>c4h71-3+ic3h7o2h 1.400e+012 0.000 14900.0 c4h8-1+pc4h9o2<=>c4h71-3+pc4h9o2h 1.400e+012 0.000 14900.0 c4h8-1+sc4h9o2<=>c4h71-3+sc4h9o2h 1.400e+012 0.000 14900.0 h+c4h71-3<=>c4h8-2 5.000e+013 0.000 0.0 c4h8-2+o2<=>c4h71-3+ho2 4.000e+013 0.000 39390.0 c4h8-2+h<=>c4h71-3+h2 4.440e+004 2.810 4414.0 c4h8-2+oh<=>c4h71-3+h2o 5.100e+008 1.400 1250.0 c4h8-2+ch3<=>c4h71-3+ch4 7.140e+000 3.570 7642.0 c4h8-2+ho2<=>c4h71-3+h2o2 5.940e+004 2.570 16140.0 c4h8-2+ch3o2<=>c4h71-3+ch3o2h 5.940e+004 2.570 16140.0 c4h8-2+ch3o<=>c4h71-3+ch3oh 1.800e+001 2.950 11990.0 c4h8-2+c2h5o2<=>c4h71-3+c2h5o2h 3.200e+012 0.000 14900.0 c4h8-2+ic3h7o2<=>c4h71-3+ic3h7o2h 3.200e+012 0.000 14900.0 c4h8-2+pc4h9o2<=>c4h71-3+pc4h9o2h 3.200e+012 0.000 14900.0 c4h8-2+sc4h9o2<=>c4h71-3+sc4h9o2h 3.200e+012 0.000 14900.0 c4h8-1+oh<=>pc4h8oh 4.750e+012 0.000 -782.0 c4h8-2+oh<=>sc4h8oh 4.750e+012 0.000 -782.0 pc4h8oh+o2<=>c4h8oh-1o2 2.000e+012 0.000 0.0 sc4h8oh+o2<=>c4h8oh-2o2 2.000e+012 0.000 0.0 c4h8oh-1o2=>c2h5cho+ch2o+oh 1.000e+016 0.000 25000.0 c4h8oh-2o2=>oh+ch3cho+ch3cho 1.000e+016 0.000 25000.0 c2h2+c2h5<=>c4h71-1 2.000e+011 0.000 7800.0 c3h4-a+ch3<=>c4h71-2 2.000e+011 0.000 7800.0 c2h4+c2h3<=>c4h71-4 2.000e+011 0.000 7800.0 c3h4-p+ch3<=>c4h72-2 1.000e+011 0.000 7800.0 c4h6+h<=>c4h71-3 4.000e+013 0.000 1300.0 c4h71-3+c2h5<=>c4h8-1+c2h4 2.590e+012 0.000 -131.0 c4h71-3+ch3o<=>c4h8-1+ch2o 2.410e+013 0.000 0.0 c4h71-3+o<=>c2h3cho+ch3 6.030e+013 0.000 0.0 c4h71-3+ho2<=>c4h7o+oh 9.640e+012 0.000 0.0 c4h71-3+ch3o2<=>c4h7o+ch3o 9.640e+012 0.000 0.0 c3h5-a+c4h71-3<=>c3h6+c4h6 6.310e+012 0.000 0.0 c4h71-3+o2<=>c4h6+ho2 1.000e+009 0.000 0.0 h+c4h71-3<=>c4h6+h2 3.160e+013 0.000 0.0 c2h5+c4h71-3<=>c4h6+c2h6 3.980e+012 0.000 0.0 c2h3+c4h71-3<=>c2h4+c4h6 3.980e+012 0.000 0.0 c4h71-3+c2h5o2<=>c4h7o+c2h5o 3.800e+012 0.000 -1200.0 ic3h7o2+c4h71-3<=>ic3h7o+c4h7o 3.800e+012 0.000 -1200.0 nc3h7o2+c4h71-3<=>nc3h7o+c4h7o 3.800e+012 0.000 -1200.0 c4h7o<=>ch3cho+c2h3 7.940e+014 0.000 19000.0 c4h7o<=>c2h3cho+ch3 7.940e+014 0.000 19000.0 c4h6<=>c4h5-i+h 5.700e+036 -6.270 112353.0 c4h6<=>c4h5-n+h 5.300e+044 -8.620 123608.0 c4h6<=>c4h4+h2 2.500e+015 0.000 94700.0 c4h6+h<=>c4h5-n+h2 1.330e+006 2.530 12240.0 c4h6+h<=>c4h5-i+h2 6.650e+005 2.530 9240.0 c4h6+h<=>c2h4+c2h3 1.460e+030 -4.340 21647.0 plog/ 1.0000 1.460e+030 -4.340 21647.0/ plog/ 10.0000 5.450e+030 -4.510 21877.0/ c4h6+h<=>c3h4-p+ch3 2.000e+012 0.000 7000.0 c4h6+h<=>c3h4-a+ch3 2.000e+012 0.000 7000.0 c4h6+o<=>c4h5-n+oh 7.500e+006 1.900 3740.0 c4h6+o<=>c4h5-i+oh 7.500e+006 1.900 3740.0 c4h6+o<=>c2h2+c2h4o1-2 1.000e+008 1.450 -860.0 c4h6+o<=>ch2chchcho+h 4.500e+008 1.450 -860.0 c4h6+oh<=>c4h5-n+h2o 6.200e+006 2.000 3430.0 c4h6+oh<=>c4h5-i+h2o 3.100e+006 2.000 430.0 c4h6+ch3<=>c4h5-n+ch4 2.000e+014 0.000 22800.0 c4h6+ch3<=>c4h5-i+ch4 1.000e+014 0.000 19800.0 c4h6+c2h3<=>c4h5-n+c2h4 5.000e+013 0.000 22800.0 c4h6+c2h3<=>c4h5-i+c2h4 2.500e+013 0.000 19800.0 c4h6+c3h3<=>c4h5-n+c3h4-a 1.000e+013 0.000 22500.0 c4h6+c3h3<=>c4h5-i+c3h4-a 5.000e+012 0.000 19500.0 c4h6+c3h5-a<=>c4h5-n+c3h6 1.000e+013 0.000 22500.0 c4h6+c3h5-a<=>c4h5-i+c3h6 5.000e+012 0.000 19500.0 c4h71-4<=>c4h6+h 2.480e+053 -12.300 52000.0 plog/ 1.0000 2.480e+053 -12.300 52000.0/ plog/ 10.0000 1.850e+048 -10.500 51770.0/ c2h3+c2h2<=>c4h4+h 7.200e+013 -0.480 6100.0 plog/ 0.0132 7.200e+013 -0.480 6100.0/ plog/ 0.0263 5.000e+014 -0.710 6700.0/ plog/ 0.1200 4.600e+016 -1.250 8400.0/ plog/ 1.0000 2.000e+018 -1.680 10600.0/ plog/ 10.0000 4.900e+016 -1.130 11800.0/ c2h3+c2h2<=>c4h5-n 1.100e+031 -7.140 5600.0 plog/ 0.0132 1.100e+031 -7.140 5600.0/ plog/ 0.0263 1.100e+032 -7.330 6200.0/ plog/ 0.1200 2.400e+031 -6.950 5600.0/ plog/ 1.0000 9.300e+038 -8.760 12000.0/ plog/ 10.0000 8.100e+037 -8.090 13400.0/ c2h3+c2h2<=>c4h5-i 5.000e+034 -8.420 7900.0 plog/ 0.0132 5.000e+034 -8.420 7900.0/ plog/ 0.0263 2.100e+036 -8.780 9100.0/ plog/ 0.1200 1.000e+037 -8.770 9800.0/ plog/ 1.0000 1.600e+046 -10.980 18600.0/ plog/ 10.0000 5.100e+053 -12.640 28800.0/ c2h3+c2h3<=>c4h6 7.000e+057 -13.820 17629.0 plog/ 0.0263 7.000e+057 -13.820 17629.0/ plog/ 0.1200 1.500e+052 -11.970 16056.0/ plog/ 1.0000 1.500e+042 -8.840 12483.0/ c2h3+c2h3<=>c4h5-i+h 1.500e+030 -4.950 12958.0 plog/ 0.0263 1.500e+030 -4.950 12958.0/ plog/ 0.1200 7.200e+028 -4.490 14273.0/ plog/ 1.0000 1.200e+022 -2.440 13654.0/ c2h3+c2h3<=>c4h5-n+h 1.100e+024 -3.280 12395.0 plog/ 0.0263 1.100e+024 -3.280 12395.0/ plog/ 0.1200 4.600e+024 -3.380 14650.0/ plog/ 1.0000 2.400e+020 -2.040 15361.0/ c4h5-n<=>c4h5-i 2.400e+060 -16.080 47500.0 plog/ 0.0132 2.400e+060 -16.080 47500.0/ plog/ 0.0263 1.300e+062 -16.380 49600.0/ plog/ 0.1200 4.900e+066 -17.260 55400.0/ plog/ 1.0000 1.500e+067 -16.890 59100.0/ plog/ 10.0000 2.000e+060 -14.460 58600.0/ c4h5-n+h<=>c4h5-i+h 3.100e+026 -3.350 17423.0 c4h5-n+h<=>c4h4+h2 1.500e+013 0.000 0.0 c4h5-n+oh<=>c4h4+h2o 2.000e+012 0.000 0.0 c4h5-n+hco<=>c4h6+co 5.000e+012 0.000 0.0 c4h5-n+ho2=>c2h3+ch2co+oh 6.600e+012 0.000 0.0 c4h5-n+h2o2<=>c4h6+ho2 1.210e+010 0.000 -596.0 c4h5-n+ho2<=>c4h6+o2 6.000e+011 0.000 0.0 c4h5-n+o2<=>ch2chchcho+o 3.000e+011 0.290 11.0 c4h5-n+o2<=>hco+c2h3cho 9.200e+016 -1.390 1010.0 c4h5-i+h<=>c4h4+h2 3.000e+013 0.000 0.0 c4h5-i+h<=>c3h3+ch3 2.000e+013 0.000 2000.0 c4h5-i+oh<=>c4h4+h2o 4.000e+012 0.000 0.0 c4h5-i+hco<=>c4h6+co 5.000e+012 0.000 0.0 c4h5-i+ho2<=>c4h6+o2 6.000e+011 0.000 0.0 c4h5-i+ho2=>c2h3+ch2co+oh 6.600e+012 0.000 0.0 c4h5-i+h2o2<=>c4h6+ho2 1.210e+010 0.000 -596.0 c4h5-i+o2<=>ch2co+ch2cho 2.160e+010 0.000 2500.0 c4h5-2<=>c4h5-i 1.500e+067 -16.890 59100.0 c4h5-2+h<=>c4h5-i+h 3.100e+026 -3.350 17423.0 c4h5-2+ho2=>oh+c2h2+ch3co 8.000e+011 0.000 0.0 c4h5-2+o2<=>ch3co+ch2co 2.160e+010 0.000 2500.0 c4h6-2<=>c4h6 3.000e+013 0.000 65000.0 c4h6-2+h<=>c4h5-2+h2 3.400e+005 2.500 2490.0 c4h6-2+h<=>ch3+c3h4-p 2.600e+005 2.500 1000.0 c4h6-2<=>h+c4h5-2 5.000e+015 0.000 87300.0 c4h6-2+ch3<=>c4h5-2+ch4 1.400e+014 0.000 18500.0 ch2chchcho<=>c3h5-a+co 1.000e+014 0.000 25000.0 c4h4+h<=>c4h5-n 1.200e+051 -12.570 12300.0 plog/ 0.0132 1.200e+051 -12.570 12300.0/ plog/ 0.0263 4.200e+050 -12.340 12500.0/ plog/ 0.1200 1.100e+050 -11.940 13400.0/ plog/ 1.0000 1.300e+051 -11.920 16500.0/ plog/ 10.0000 6.200e+045 -10.080 15800.0/ c4h4+h<=>c4h5-i 6.100e+053 -13.190 14200.0 plog/ 0.0132 6.100e+053 -13.190 14200.0/ plog/ 0.0263 9.600e+052 -12.850 14300.0/ plog/ 0.1200 2.100e+052 -12.440 15500.0/ plog/ 1.0000 4.900e+051 -11.920 17700.0/ plog/ 10.0000 1.500e+048 -10.580 18800.0/ c4h4+h<=>c4h3-n+h2 6.650e+005 2.530 12240.0 c4h4+h<=>c4h3-i+h2 3.330e+005 2.530 9240.0 c4h4+oh<=>c4h3-n+h2o 3.100e+007 2.000 3430.0 c4h4+oh<=>c4h3-i+h2o 1.550e+007 2.000 430.0 c4h4+o<=>c3h3+hco 6.000e+008 1.450 -860.0 c3h3+hcco<=>c4h4+co 2.500e+013 0.000 0.0 c3h3+ch<=>c4h3-i+h 5.000e+013 0.000 0.0 c3h3+ch2<=>c4h4+h 5.000e+013 0.000 0.0 c2h2+c2h(+m)<=>c4h3-n(+m) 8.300e+010 0.899 -363.0 low/ 1.240e+031 -4.718 1871.0/ troe/ 1.000e+000 1.000e+002 5.613e+003 1.339e+004/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h2/ 2.50/ c2h4/ 2.50/ c4h3-n<=>c4h3-i 4.100e+043 -9.490 53000.0 c4h3-n+h<=>c4h3-i+h 2.500e+020 -1.670 10800.0 c4h3-n+h<=>c2h2+h2cc 6.300e+025 -3.340 10014.0 c4h3-n+h<=>c4h4 2.000e+047 -10.260 13070.0 c4h3-n+h<=>c4h2+h2 3.000e+013 0.000 0.0 c4h3-n+oh<=>c4h2+h2o 2.000e+012 0.000 0.0 c2h2+c2h(+m)<=>c4h3-i(+m) 8.300e+010 0.899 -363.0 low/ 1.240e+031 -4.718 1871.0/ troe/ 1.000e+000 1.000e+002 5.613e+003 1.339e+004/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h2/ 2.50/ c2h4/ 2.50/ c4h3-i+h<=>c2h2+h2cc 2.800e+023 -2.550 10780.0 c4h3-i+h<=>c4h4 3.400e+043 -9.010 12120.0 c4h3-i+h<=>c4h2+h2 6.000e+013 0.000 0.0 c4h3-i+oh<=>c4h2+h2o 4.000e+012 0.000 0.0 c4h3-i+o2<=>hcco+ch2co 7.860e+016 -1.800 0.0 c4h3-i+ch2<=>c3h4-a+c2h 2.000e+013 0.000 0.0 c2h2+c2h<=>c4h2+h 9.600e+013 0.000 0.0 c4h2+h<=>c4h3-n 1.100e+042 -8.720 15300.0 c4h2+h<=>c4h3-i 1.100e+030 -4.920 10800.0 c4h2+oh<=>h2c4o+h 6.600e+012 0.000 -410.0 h2c4o+h<=>c2h2+hcco 5.000e+013 0.000 3000.0 h2c4o+oh<=>ch2co+hcco 1.000e+007 2.000 2000.0 h2cc+c2h2(+m)<=>c4h4(+m) 3.500e+005 2.055 -2400.0 low/ 1.400e+060 -12.599 7417.0/ troe/ 9.800e-001 5.600e+001 5.800e+002 4.164e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h2/ 3.00/ c2h4/ 3.00/ h2cc+c2h4<=>c4h6 1.000e+012 0.000 0.0 pc4h9+o2<=>pc4h9o2 4.520e+012 0.000 0.0 sc4h9+o2<=>sc4h9o2 7.540e+012 0.000 0.0 sc4h9o2+ch2o<=>sc4h9o2h+hco 5.600e+012 0.000 13600.0 sc4h9o2+ch3cho<=>sc4h9o2h+ch3co 2.800e+012 0.000 13600.0 sc4h9o2+ho2<=>sc4h9o2h+o2 1.750e+010 0.000 -3275.0 ic3h7o2+pc4h9<=>ic3h7o+pc4h9o 7.000e+012 0.000 -1000.0 ic3h7o2+sc4h9<=>ic3h7o+sc4h9o 7.000e+012 0.000 -1000.0 nc3h7o2+pc4h9<=>nc3h7o+pc4h9o 7.000e+012 0.000 -1000.0 nc3h7o2+sc4h9<=>nc3h7o+sc4h9o 7.000e+012 0.000 -1000.0 sc4h9o2+sc4h9o2=>o2+sc4h9o+sc4h9o 1.400e+016 -1.610 1860.0 sc4h9o2+nc3h7o2=>sc4h9o+nc3h7o+o2 1.400e+016 -1.610 1860.0 sc4h9o2+ic3h7o2=>sc4h9o+ic3h7o+o2 1.400e+016 -1.610 1860.0 sc4h9o2+c2h5o2=>sc4h9o+c2h5o+o2 1.400e+016 -1.610 1860.0 sc4h9o2+ch3o2=>sc4h9o+ch3o+o2 1.400e+016 -1.610 1860.0 sc4h9o2+ch3co3=>sc4h9o+ch3co2+o2 1.400e+016 -1.610 1860.0 h2+pc4h9o2<=>h+pc4h9o2h 3.010e+013 0.000 26030.0 h2+sc4h9o2<=>h+sc4h9o2h 3.010e+013 0.000 26030.0 c2h6+pc4h9o2<=>c2h5+pc4h9o2h 1.700e+013 0.000 20460.0 c2h6+sc4h9o2<=>c2h5+sc4h9o2h 1.700e+013 0.000 20460.0 pc4h9o2+c2h5cho<=>pc4h9o2h+c2h5co 2.000e+011 0.000 9500.0 sc4h9o2+c2h5cho<=>sc4h9o2h+c2h5co 2.000e+011 0.000 9500.0 sc4h9o2+ch3<=>sc4h9o+ch3o 7.000e+012 0.000 -1000.0 sc4h9o2+c2h5<=>sc4h9o+c2h5o 7.000e+012 0.000 -1000.0 sc4h9o2+ic3h7<=>sc4h9o+ic3h7o 7.000e+012 0.000 -1000.0 sc4h9o2+nc3h7<=>sc4h9o+nc3h7o 7.000e+012 0.000 -1000.0 sc4h9o2+pc4h9<=>sc4h9o+pc4h9o 7.000e+012 0.000 -1000.0 sc4h9o2+sc4h9<=>sc4h9o+sc4h9o 7.000e+012 0.000 -1000.0 sc4h9o2+c3h5-a<=>sc4h9o+c3h5o 7.000e+012 0.000 -1000.0 pc4h9o2+ch2o<=>pc4h9o2h+hco 5.600e+012 0.000 13600.0 pc4h9o2+ch3cho<=>pc4h9o2h+ch3co 2.800e+012 0.000 13600.0 pc4h9o2+ho2<=>pc4h9o2h+o2 1.750e+010 0.000 -3275.0 c3h6+pc4h9o2<=>c3h5-a+pc4h9o2h 3.240e+011 0.000 14900.0 c3h6+sc4h9o2<=>c3h5-a+sc4h9o2h 3.240e+011 0.000 14900.0 c2h4+pc4h9o2<=>c2h3+pc4h9o2h 1.130e+013 0.000 30430.0 c2h4+sc4h9o2<=>c2h3+sc4h9o2h 1.130e+013 0.000 30430.0 ch3oh+pc4h9o2<=>ch2oh+pc4h9o2h 6.300e+012 0.000 19360.0 ch3oh+sc4h9o2<=>ch2oh+sc4h9o2h 6.300e+012 0.000 19360.0 c2h3cho+pc4h9o2<=>c2h3co+pc4h9o2h 2.800e+012 0.000 13600.0 c2h3cho+sc4h9o2<=>c2h3co+sc4h9o2h 2.800e+012 0.000 13600.0 ch4+pc4h9o2<=>ch3+pc4h9o2h 1.120e+013 0.000 24640.0 ch4+sc4h9o2<=>ch3+sc4h9o2h 1.120e+013 0.000 24640.0 c4h71-3+pc4h9o2<=>c4h7o+pc4h9o 7.000e+012 0.000 -1000.0 c4h71-3+sc4h9o2<=>c4h7o+sc4h9o 7.000e+012 0.000 -1000.0 h2o2+pc4h9o2<=>ho2+pc4h9o2h 2.400e+012 0.000 10000.0 h2o2+sc4h9o2<=>ho2+sc4h9o2h 2.400e+012 0.000 10000.0 pc4h9o2+pc4h9o2=>o2+pc4h9o+pc4h9o 1.400e+016 -1.610 1860.0 pc4h9o2+sc4h9o2=>pc4h9o+sc4h9o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+nc3h7o2=>pc4h9o+nc3h7o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+ic3h7o2=>pc4h9o+ic3h7o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+c2h5o2=>pc4h9o+c2h5o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+ch3o2=>pc4h9o+ch3o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+ch3co3=>pc4h9o+ch3co2+o2 1.400e+016 -1.610 1860.0 pc4h9o2+ch3<=>pc4h9o+ch3o 7.000e+012 0.000 -1000.0 pc4h9o2+c2h5<=>pc4h9o+c2h5o 7.000e+012 0.000 -1000.0 pc4h9o2+ic3h7<=>pc4h9o+ic3h7o 7.000e+012 0.000 -1000.0 pc4h9o2+nc3h7<=>pc4h9o+nc3h7o 7.000e+012 0.000 -1000.0 pc4h9o2+pc4h9<=>pc4h9o+pc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+sc4h9<=>pc4h9o+sc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+c3h5-a<=>pc4h9o+c3h5o 7.000e+012 0.000 -1000.0 pc4h9+ho2<=>pc4h9o+oh 7.000e+012 0.000 -1000.0 sc4h9+ho2<=>sc4h9o+oh 7.000e+012 0.000 -1000.0 ch3o2+pc4h9<=>ch3o+pc4h9o 7.000e+012 0.000 -1000.0 ch3o2+sc4h9<=>ch3o+sc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2h<=>pc4h9o+oh 1.500e+016 0.000 42500.0 sc4h9o+oh<=>sc4h9o2h 1.000e+015 -0.800 0.0 nc3h7+ch2o<=>pc4h9o 5.000e+010 0.000 3457.0 ch3+c2h5cho<=>sc4h9o 5.000e+010 0.000 9043.0 c2h5+ch3cho<=>sc4h9o 3.330e+010 0.000 6397.0 pc4h9o2<=>c4h8ooh1-3 2.500e+010 0.000 20850.0 sc4h9o2<=>c4h8ooh2-4 3.750e+010 0.000 24400.0 pc4h9o2<=>c4h8-1+ho2 4.308e+036 -7.500 39510.0 sc4h9o2<=>c4h8-1+ho2 5.980e+042 -9.430 41530.0 sc4h9o2<=>c4h8-2+ho2 4.308e+036 -7.500 39510.0 c4h8ooh1-3=>oh+ch2o+c3h6 6.635e+013 -0.160 29900.0 c4h8ooh2-4=>oh+ch3cho+c2h4 1.945e+018 -1.630 26790.0 c4h8ooh1-3+o2<=>c4h8ooh1-3o2 7.540e+012 0.000 0.0 c4h8ooh2-4+o2<=>c4h8ooh2-4o2 4.520e+012 0.000 0.0 c4h8ooh1-3o2<=>nc4ket13+oh 2.500e+010 0.000 21400.0 c4h8ooh2-4o2<=>nc4ket24+oh 1.250e+010 0.000 17850.0 nc4ket13=>ch3cho+ch2cho+oh 1.050e+016 0.000 41600.0 nc4ket23=>ch3cho+ch3co+oh 1.050e+016 0.000 41600.0 nc4ket24=>ch2o+ch3coch2+oh 1.500e+016 0.000 42000.0 c2h5coch3+oh<=>ch2ch2coch3+h2o 7.550e+009 0.970 1586.0 c2h5coch3+oh<=>ch3chcoch3+h2o 8.450e+011 0.000 -228.0 c2h5coch3+oh<=>c2h5coch2+h2o 5.100e+011 0.000 1192.0 c2h5coch3+ho2<=>ch2ch2coch3+h2o2 2.380e+004 2.550 16490.0 c2h5coch3+ho2<=>ch3chcoch3+h2o2 2.000e+011 0.000 8698.0 c2h5coch3+ho2<=>c2h5coch2+h2o2 2.380e+004 2.550 14690.0 c2h5coch3+o<=>ch2ch2coch3+oh 2.250e+013 0.000 7700.0 c2h5coch3+o<=>ch3chcoch3+oh 3.070e+013 0.000 3400.0 c2h5coch3+o<=>c2h5coch2+oh 5.000e+012 0.000 5962.0 c2h5coch3+h<=>ch2ch2coch3+h2 9.160e+006 2.000 7700.0 c2h5coch3+h<=>ch3chcoch3+h2 4.460e+006 2.000 3200.0 c2h5coch3+h<=>c2h5coch2+h2 9.300e+012 0.000 6357.0 c2h5coch3+o2<=>ch2ch2coch3+ho2 2.050e+013 0.000 51310.0 c2h5coch3+o2<=>ch3chcoch3+ho2 1.550e+013 0.000 41970.0 c2h5coch3+o2<=>c2h5coch2+ho2 2.050e+013 0.000 49150.0 c2h5coch3+ch3<=>ch2ch2coch3+ch4 3.190e+001 3.170 7172.0 c2h5coch3+ch3<=>ch3chcoch3+ch4 1.740e+000 3.460 3680.0 c2h5coch3+ch3<=>c2h5coch2+ch4 1.620e+011 0.000 9630.0 c2h5coch3+ch3o<=>ch2ch2coch3+ch3oh 2.170e+011 0.000 6460.0 c2h5coch3+ch3o<=>ch3chcoch3+ch3oh 1.450e+011 0.000 2771.0 c2h5coch3+ch3o<=>c2h5coch2+ch3oh 2.170e+011 0.000 4660.0 c2h5coch3+ch3o2<=>ch2ch2coch3+ch3o2h 3.010e+012 0.000 19380.0 c2h5coch3+ch3o2<=>ch3chcoch3+ch3o2h 2.000e+012 0.000 15250.0 c2h5coch3+ch3o2<=>c2h5coch2+ch3o2h 3.010e+012 0.000 17580.0 c2h5coch3+c2h3<=>ch2ch2coch3+c2h4 5.000e+011 0.000 10400.0 c2h5coch3+c2h3<=>ch3chcoch3+c2h4 3.000e+011 0.000 3400.0 c2h5coch3+c2h3<=>c2h5coch2+c2h4 6.150e+010 0.000 4278.0 c2h5coch3+c2h5<=>ch2ch2coch3+c2h6 5.000e+010 0.000 13400.0 c2h5coch3+c2h5<=>ch3chcoch3+c2h6 3.000e+010 0.000 8600.0 c2h5coch3+c2h5<=>c2h5coch2+c2h6 5.000e+010 0.000 11600.0 ch3chcoch3+o2<=>ch3choococh3 1.000e+011 0.000 0.0 ch3choococh3<=>ch2choohcoch3 8.900e+012 0.000 29700.0 c2h3coch3+ho2<=>ch2choohcoch3 7.000e+010 0.000 7800.0 ch2ch2cho<=>c2h4+hco 3.127e+013 -0.520 24590.0 ch2ch2coch3<=>c2h4+ch3co 1.000e+014 0.000 18000.0 c2h5coch2<=>ch2co+c2h5 1.000e+014 0.000 35000.0 c2h3coch3+h<=>ch3chcoch3 5.000e+012 0.000 1200.0 ch3chco+ch3<=>ch3chcoch3 1.230e+011 0.000 7800.0 nc3h7cho+o2<=>nc3h7co+ho2 1.200e+005 2.500 37560.0 nc3h7cho+oh<=>nc3h7co+h2o 2.000e+006 1.800 -1300.0 nc3h7cho+h<=>nc3h7co+h2 4.140e+009 1.120 2320.0 nc3h7cho+o<=>nc3h7co+oh 5.940e+012 0.000 1868.0 nc3h7cho+ho2<=>nc3h7co+h2o2 4.090e+004 2.500 10200.0 nc3h7cho+ch3<=>nc3h7co+ch4 2.890e-003 4.620 3210.0 nc3h7cho+ch3o<=>nc3h7co+ch3oh 1.000e+012 0.000 3300.0 nc3h7cho+ch3o2<=>nc3h7co+ch3o2h 4.090e+004 2.500 10200.0 nc3h7cho+oh<=>c3h6cho-1+h2o 5.280e+009 0.970 1586.0 nc3h7cho+oh<=>c3h6cho-2+h2o 4.680e+007 1.610 -35.0 nc3h7cho+oh<=>c3h6cho-3+h2o 5.520e+002 3.120 -1176.0 nc3h7cho+ho2<=>c3h6cho-1+h2o2 2.379e+004 2.550 16490.0 nc3h7cho+ho2<=>c3h6cho-2+h2o2 9.640e+003 2.600 13910.0 nc3h7cho+ho2<=>c3h6cho-3+h2o2 3.440e+012 0.050 17880.0 nc3h7cho+ch3o2<=>c3h6cho-1+ch3o2h 2.379e+004 2.550 16490.0 nc3h7cho+ch3o2<=>c3h6cho-2+ch3o2h 9.640e+003 2.600 13910.0 nc3h7cho+ch3o2<=>c3h6cho-3+ch3o2h 3.440e+012 0.050 17880.0 nc3h7co<=>nc3h7+co 1.000e+011 0.000 9600.0 c3h6cho-1<=>c2h4+ch2cho 7.400e+011 0.000 21970.0 c2h3cho+ch3<=>c3h6cho-3 1.230e+011 0.000 7800.0 sc3h5cho+h<=>c3h6cho-2 5.000e+012 0.000 2900.0 c3h6+hco<=>c3h6cho-2 1.000e+011 0.000 6000.0 sc3h5cho+oh<=>sc3h5co+h2o 2.690e+010 0.760 -340.0 c3h5-s+co<=>sc3h5co 5.000e+012 0.000 8000.0 sc3h5cho+ho2<=>sc3h5co+h2o2 1.000e+012 0.000 11920.0 sc3h5cho+ch3<=>sc3h5co+ch4 3.980e+012 0.000 8700.0 sc3h5cho+o<=>sc3h5co+oh 7.180e+012 0.000 1389.0 sc3h5cho+o2<=>sc3h5co+ho2 4.000e+013 0.000 37600.0 sc3h5cho+h<=>sc3h5co+h2 2.600e+012 0.000 2600.0 c2h3coch3+oh<=>ch3cho+ch3co 1.000e+011 0.000 0.0 c2h3coch3+oh=>ch2co+c2h3+h2o 5.100e+011 0.000 1192.0 c2h3coch3+ho2=>ch2cho+ch3co+oh 6.030e+009 0.000 7949.0 c2h3coch3+ho2=>ch2co+c2h3+h2o2 8.500e+012 0.000 20460.0 c2h3coch3+ch3o2=>ch2cho+ch3co+ch3o 3.970e+011 0.000 17050.0 c2h3coch3+ch3o2=>ch2co+c2h3+ch3o2h 3.010e+012 0.000 17580.0 ic4h10(+m)<=>ch3+ic3h7(+m) 2.520e+031 -4.102 91495.0 low/ 2.410e+019 0.000 52576.0/ troe/ 3.662e-001 8.153e+002 6.079e+001 1.000e+020/ ic4h10<=>tc4h9+h 2.510e+098 -23.810 145300.0 ic4h10<=>ic4h9+h 9.850e+095 -23.110 147600.0 ic4h10+h<=>tc4h9+h2 6.020e+005 2.400 2583.0 ic4h10+h<=>ic4h9+h2 1.810e+006 2.540 6756.0 ic4h10+ch3<=>tc4h9+ch4 9.040e-001 3.460 4598.0 ic4h10+ch3<=>ic4h9+ch4 1.360e+000 3.650 7154.0 ic4h10+oh<=>tc4h9+h2o 2.925e+004 2.531 -1659.0 ic4h10+oh<=>ic4h9+h2o 6.654e+004 2.665 -168.9 ic4h10+c2h5<=>ic4h9+c2h6 1.510e+012 0.000 10400.0 ic4h10+c2h5<=>tc4h9+c2h6 1.000e+011 0.000 7900.0 ic4h10+ho2<=>ic4h9+h2o2 6.120e+001 3.590 17160.0 ic4h10+ho2<=>tc4h9+h2o2 4.332e+002 3.010 12090.0 ic4h10+o<=>tc4h9+oh 1.968e+005 2.402 1150.0 ic4h10+o<=>ic4h9+oh 4.046e+007 2.034 5136.0 ic4h10+ch3o<=>ic4h9+ch3oh 4.800e+011 0.000 7000.0 ic4h10+ch3o<=>tc4h9+ch3oh 1.900e+010 0.000 2800.0 ic4h10+o2<=>ic4h9+ho2 9.000e+013 0.000 52290.0 ic4h10+o2<=>tc4h9+ho2 1.000e+013 0.000 48200.0 ic4h10+ch3o2<=>ic4h9+ch3o2h 2.079e+000 3.970 18280.0 ic4h10+c2h5o2<=>ic4h9+c2h5o2h 2.550e+013 0.000 20460.0 ic4h10+ch3co3<=>ic4h9+ch3co3h 2.550e+013 0.000 20460.0 ic4h10+ic3h7o2<=>ic4h9+ic3h7o2h 2.550e+013 0.000 20460.0 ic4h10+ic4h9o2<=>ic4h9+ic4h9o2h 2.550e+013 0.000 20460.0 ic4h10+tc4h9o2<=>ic4h9+tc4h9o2h 2.550e+013 0.000 20460.0 ic4h10+o2cho<=>ic4h9+ho2cho 2.520e+013 0.000 20440.0 ic4h10+o2cho<=>tc4h9+ho2cho 2.800e+012 0.000 16010.0 ic4h10+sc4h9o2<=>ic4h9+sc4h9o2h 2.250e+013 0.000 20460.0 ic4h10+sc4h9o2<=>tc4h9+sc4h9o2h 2.800e+012 0.000 16000.0 ic4h10+pc4h9o2<=>ic4h9+pc4h9o2h 2.250e+013 0.000 20460.0 ic4h10+pc4h9o2<=>tc4h9+pc4h9o2h 2.800e+012 0.000 16000.0 ic4h10+ch3o2<=>tc4h9+ch3o2h 1.366e+002 3.120 13190.0 ic4h10+c2h5o2<=>tc4h9+c2h5o2h 2.800e+012 0.000 16000.0 ic4h10+ch3co3<=>tc4h9+ch3co3h 2.800e+012 0.000 16000.0 ic4h10+ic3h7o2<=>tc4h9+ic3h7o2h 2.800e+012 0.000 16000.0 ic4h10+ic4h9o2<=>tc4h9+ic4h9o2h 2.800e+012 0.000 16000.0 ic4h10+tc4h9o2<=>tc4h9+tc4h9o2h 2.800e+012 0.000 16000.0 ic4h10+ic4h9<=>tc4h9+ic4h10 2.500e+010 0.000 7900.0 ic4h9+ho2<=>ic4h9o+oh 7.000e+012 0.000 -1000.0 tc4h9+ho2<=>tc4h9o+oh 7.000e+012 0.000 -1000.0 ch3o2+ic4h9<=>ch3o+ic4h9o 7.000e+012 0.000 -1000.0 ch3o2+tc4h9<=>ch3o+tc4h9o 7.000e+012 0.000 -1000.0 ic4h9<=>tc4h9 3.560e+010 0.880 34600.0 ic4h8+h<=>ic4h9 6.250e+011 0.510 2620.0 c3h6+ch3<=>ic4h9 1.890e+003 2.670 6850.0 h+ic4h8<=>tc4h9 1.060e+012 0.510 1230.0 tc4h9+o2<=>ic4h8+ho2 8.370e-001 3.590 11960.0 ic4h9+o2<=>ic4h8+ho2 1.070e+000 3.710 9322.0 nc3h7o2+ic4h9<=>nc3h7o+ic4h9o 7.000e+012 0.000 -1000.0 nc3h7o2+tc4h9<=>nc3h7o+tc4h9o 7.000e+012 0.000 -1000.0 nc3h7o2+ic4h7<=>nc3h7o+ic4h7o 7.000e+012 0.000 -1000.0 sc4h9o2+ic4h9<=>sc4h9o+ic4h9o 7.000e+012 0.000 -1000.0 sc4h9o2+tc4h9<=>sc4h9o+tc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+ic4h9<=>pc4h9o+ic4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+tc4h9<=>pc4h9o+tc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+ic4h7<=>pc4h9o+ic4h7o 7.000e+012 0.000 -1000.0 sc4h9o2+ic4h7<=>sc4h9o+ic4h7o 7.000e+012 0.000 -1000.0 ic4h9+o2<=>ic4h9o2 2.260e+012 0.000 0.0 tc4h9+o2<=>tc4h9o2 1.410e+013 0.000 0.0 ic3h7o2+ic4h9<=>ic3h7o+ic4h9o 7.000e+012 0.000 -1000.0 ic3h7o2+tc4h9<=>ic3h7o+tc4h9o 7.000e+012 0.000 -1000.0 ic3h7o2+ic4h7<=>ic3h7o+ic4h7o 7.000e+012 0.000 -1000.0 ic4h9o2+c3h6<=>ic4h9o2h+c3h5-a 3.240e+011 0.000 14900.0 tc4h9o2+c3h6<=>tc4h9o2h+c3h5-a 3.240e+011 0.000 14900.0 ic4h9o2+ic4h8<=>ic4h9o2h+ic4h7 1.400e+012 0.000 14900.0 tc4h9o2+ic4h8<=>tc4h9o2h+ic4h7 1.400e+012 0.000 14900.0 pc4h9o2+ic4h8<=>pc4h9o2h+ic4h7 1.400e+012 0.000 14900.0 sc4h9o2+ic4h8<=>sc4h9o2h+ic4h7 1.400e+012 0.000 14900.0 ic3h7o2+ic4h8<=>ic3h7o2h+ic4h7 1.400e+012 0.000 14900.0 ic4h9o2+c4h8-1<=>ic4h9o2h+c4h71-3 1.400e+012 0.000 14900.0 tc4h9o2+c4h8-1<=>tc4h9o2h+c4h71-3 1.400e+012 0.000 14900.0 ic4h9o2+c4h8-2<=>ic4h9o2h+c4h71-3 1.400e+012 0.000 14900.0 tc4h9o2+c4h8-2<=>tc4h9o2h+c4h71-3 1.400e+012 0.000 14900.0 c2h4+tc4h9o2<=>c2h3+tc4h9o2h 8.590e+000 3.754 27132.0 tc4h9o2+ch4<=>tc4h9o2h+ch3 1.130e+013 0.000 20460.0 h2+tc4h9o2<=>h+tc4h9o2h 3.010e+013 0.000 26030.0 tc4h9o2+c2h6<=>tc4h9o2h+c2h5 1.700e+013 0.000 20460.0 tc4h9o2+c3h8<=>tc4h9o2h+ic3h7 2.000e+012 0.000 17000.0 tc4h9o2+c3h8<=>tc4h9o2h+nc3h7 1.700e+013 0.000 20460.0 tc4h9o2+ch3oh<=>tc4h9o2h+ch2oh 6.300e+012 0.000 19360.0 tc4h9o2+c2h5oh<=>tc4h9o2h+pc2h4oh 6.300e+012 0.000 19360.0 tc4h9o2+c2h5oh<=>tc4h9o2h+sc2h4oh 4.200e+012 0.000 15000.0 ic4h9o2+ch3cho<=>ic4h9o2h+ch3co 2.800e+012 0.000 13600.0 tc4h9o2+ch3cho<=>tc4h9o2h+ch3co 2.800e+012 0.000 13600.0 ic4h9o2+c2h3cho<=>ic4h9o2h+c2h3co 2.800e+012 0.000 13600.0 tc4h9o2+c2h3cho<=>tc4h9o2h+c2h3co 2.800e+012 0.000 13600.0 ic4h9o2+c2h5cho<=>ic4h9o2h+c2h5co 2.800e+012 0.000 13600.0 tc4h9o2+c2h5cho<=>tc4h9o2h+c2h5co 2.800e+012 0.000 13600.0 ic4h9o2+ho2<=>ic4h9o2h+o2 1.750e+010 0.000 -3275.0 tc4h9o2+ho2<=>tc4h9o2h+o2 1.750e+010 0.000 -3275.0 ic4h9o2+h2o2<=>ic4h9o2h+ho2 2.400e+012 0.000 10000.0 tc4h9o2+h2o2<=>tc4h9o2h+ho2 2.400e+012 0.000 10000.0 ic4h9o2+ch2o<=>ic4h9o2h+hco 1.300e+011 0.000 9000.0 tc4h9o2+ch2o<=>tc4h9o2h+hco 1.300e+011 0.000 9000.0 ic4h9o2+ch3o2=>ic4h9o+ch3o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+ch3o2=>tc4h9o+ch3o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+c2h5o2=>ic4h9o+c2h5o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+c2h5o2=>tc4h9o+c2h5o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ch3co3=>ic4h9o+ch3co2+o2 1.400e+016 -1.610 1860.0 tc4h9o2+ch3co3=>tc4h9o+ch3co2+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ic4h9o2=>o2+ic4h9o+ic4h9o 1.400e+016 -1.610 1860.0 ic4h9o2+tc4h9o2=>ic4h9o+tc4h9o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+tc4h9o2=>o2+tc4h9o+tc4h9o 1.400e+016 -1.610 1860.0 ic4h9o2+pc4h9o2=>ic4h9o+pc4h9o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+pc4h9o2=>tc4h9o+pc4h9o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+sc4h9o2=>ic4h9o+sc4h9o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+sc4h9o2=>tc4h9o+sc4h9o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+nc3h7o2=>ic4h9o+nc3h7o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+nc3h7o2=>tc4h9o+nc3h7o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ic3h7o2=>ic4h9o+ic3h7o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+ic3h7o2=>tc4h9o+ic3h7o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ho2=>ic4h9o+oh+o2 1.400e+016 -1.610 1860.0 tc4h9o2+ho2=>tc4h9o+oh+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ch3<=>ic4h9o+ch3o 7.000e+012 0.000 -1000.0 ic4h9o2+c2h5<=>ic4h9o+c2h5o 7.000e+012 0.000 -1000.0 ic4h9o2+ic3h7<=>ic4h9o+ic3h7o 7.000e+012 0.000 -1000.0 ic4h9o2+nc3h7<=>ic4h9o+nc3h7o 7.000e+012 0.000 -1000.0 ic4h9o2+pc4h9<=>ic4h9o+pc4h9o 7.000e+012 0.000 -1000.0 ic4h9o2+sc4h9<=>ic4h9o+sc4h9o 7.000e+012 0.000 -1000.0 ic4h9o2+ic4h9<=>ic4h9o+ic4h9o 7.000e+012 0.000 -1000.0 ic4h9o2+tc4h9<=>ic4h9o+tc4h9o 7.000e+012 0.000 -1000.0 ic4h9o2+c3h5-a<=>ic4h9o+c3h5o 7.000e+012 0.000 -1000.0 ic4h9o2+c4h71-3<=>ic4h9o+c4h7o 7.000e+012 0.000 -1000.0 ic4h9o2+ic4h7<=>ic4h9o+ic4h7o 7.000e+012 0.000 -1000.0 tc4h9o2+ch3<=>tc4h9o+ch3o 7.000e+012 0.000 -1000.0 tc4h9o2+c2h5<=>tc4h9o+c2h5o 7.000e+012 0.000 -1000.0 tc4h9o2+ic3h7<=>tc4h9o+ic3h7o 7.000e+012 0.000 -1000.0 tc4h9o2+nc3h7<=>tc4h9o+nc3h7o 7.000e+012 0.000 -1000.0 tc4h9o2+pc4h9<=>tc4h9o+pc4h9o 7.000e+012 0.000 -1000.0 tc4h9o2+sc4h9<=>tc4h9o+sc4h9o 7.000e+012 0.000 -1000.0 tc4h9o2+ic4h9<=>tc4h9o+ic4h9o 7.000e+012 0.000 -1000.0 tc4h9o2+tc4h9<=>tc4h9o+tc4h9o 7.000e+012 0.000 -1000.0 tc4h9o2+c3h5-a<=>tc4h9o+c3h5o 7.000e+012 0.000 -1000.0 tc4h9o2+c4h71-3<=>tc4h9o+c4h7o 7.000e+012 0.000 -1000.0 tc4h9o2+ic4h7<=>tc4h9o+ic4h7o 7.000e+012 0.000 -1000.0 ic4h9o2+c2h4<=>ic4h9o2h+c2h3 2.000e+011 0.000 6000.0 ic4h9o2+ch4<=>ic4h9o2h+ch3 1.130e+013 0.000 20460.0 h2+ic4h9o2<=>h+ic4h9o2h 3.010e+013 0.000 26030.0 ic4h9o2+c2h6<=>ic4h9o2h+c2h5 1.700e+013 0.000 20460.0 ic4h9o2+c3h8<=>ic4h9o2h+ic3h7 2.000e+012 0.000 17000.0 ic4h9o2+c3h8<=>ic4h9o2h+nc3h7 1.700e+013 0.000 20460.0 ic4h9o2+ch3oh<=>ic4h9o2h+ch2oh 6.300e+012 0.000 19360.0 ic4h9o2+c2h5oh<=>ic4h9o2h+pc2h4oh 6.300e+012 0.000 19360.0 ic4h9o2+c2h5oh<=>ic4h9o2h+sc2h4oh 4.200e+012 0.000 15000.0 ic4h9o2h<=>ic4h9o+oh 1.500e+016 0.000 42500.0 tc4h9o2h<=>tc4h9o+oh 5.950e+015 0.000 42540.0 ic4h9o+ho2<=>ic3h7cho+h2o2 1.000e+012 0.000 0.0 ic4h9o+oh<=>ic3h7cho+h2o 1.810e+013 0.000 0.0 ic4h9o+ch3<=>ic3h7cho+ch4 2.400e+013 0.000 0.0 ic4h9o+o<=>ic3h7cho+oh 6.000e+012 0.000 0.0 ic4h9o+h<=>ic3h7cho+h2 1.990e+013 0.000 0.0 ic3h7cho+h<=>ic4h9o 1.000e+012 0.000 5860.0 ch2o+ic3h7<=>ic4h9o 5.000e+010 0.000 2330.0 ch3coch3+ch3<=>tc4h9o 1.500e+011 0.000 11900.0 ic4h9o+o2<=>ic3h7cho+ho2 1.930e+011 0.000 1660.0 tc4h9o+o2<=>ic4h8o+ho2 8.100e+011 0.000 4700.0 ic4h8o<=>ic3h7cho 4.180e+013 0.000 52720.0 ic4h8o+oh<=>ic3h6cho+h2o 1.250e+012 0.000 0.0 ic4h8o+h<=>ic3h6cho+h2 1.250e+012 0.000 0.0 ic4h8o+ho2<=>ic3h6cho+h2o2 2.500e+012 0.000 15000.0 ic4h8o+ch3o2<=>ic3h6cho+ch3o2h 2.500e+012 0.000 19000.0 ic4h8o+ch3<=>ic3h6cho+ch4 5.000e+010 0.000 10000.0 ic4h8o+o<=>ic3h6cho+oh 1.250e+012 0.000 0.0 tc3h6cho+h<=>ic3h7cho 2.000e+014 0.000 0.0 ic3h7+hco<=>ic3h7cho 1.810e+013 0.000 0.0 ic3h7cho+ho2<=>ic3h7co+h2o2 3.000e+012 0.000 11920.0 ic3h7cho+ho2<=>tc3h6cho+h2o2 8.000e+010 0.000 11920.0 ic3h7cho+ch3<=>ic3h7co+ch4 3.980e+012 0.000 8700.0 ic3h7cho+o<=>ic3h7co+oh 7.180e+012 0.000 1389.0 ic3h7cho+o2<=>ic3h7co+ho2 4.000e+013 0.000 37600.0 ic3h7cho+oh<=>ic3h7co+h2o 2.690e+010 0.760 -340.0 ic3h7cho+oh<=>tc3h6cho+h2o 1.684e+012 0.000 -781.0 ic3h7cho+h<=>ic3h7co+h2 2.600e+012 0.000 2600.0 ic3h7cho+oh<=>ic3h6cho+h2o 3.120e+006 2.000 -298.0 ic3h7cho+ho2<=>ic3h6cho+h2o2 2.740e+004 2.550 15500.0 ic3h7cho+ch3o2<=>ic3h6cho+ch3o2h 4.760e+004 2.550 16490.0 ic3h7+co<=>ic3h7co 1.500e+011 0.000 4810.0 c3h6+hco<=>ic3h6cho 1.000e+011 0.000 7800.0 c2h3cho+ch3<=>ic3h6cho 1.000e+011 0.000 7800.0 ic4h8+oh<=>ic4h8oh 9.930e+011 0.000 -960.0 ic4h8oh+o2<=>io2c4h8oh 1.200e+011 0.000 -1100.0 io2c4h8oh=>ch3coch3+ch2o+oh 1.250e+010 0.000 18900.0 ic4h9o2<=>ic4h8o2h-i 7.500e+010 0.000 24400.0 tc4h9o2<=>tc4h8o2h-i 9.000e+011 0.000 34500.0 ic4h9o2<=>ic4h8o2h-t 1.000e+011 0.000 29200.0 ic4h9o2<=>ic4h8+ho2 2.265e+035 -7.220 39490.0 tc4h9o2<=>ic4h8+ho2 7.612e+042 -9.410 41490.0 ic4h8o2h-i+o2<=>ic4h8ooh-io2 2.260e+012 0.000 0.0 tc4h8o2h-i+o2<=>tc4h8ooh-io2 2.260e+012 0.000 0.0 ic4h8ooh-io2<=>ic4ketii+oh 5.000e+010 0.000 21400.0 ic4ketii=>ch2o+c2h5co+oh 1.500e+016 0.000 42000.0 ic4h8+ho2<=>tc4h8o2h-i 3.970e+011 0.000 12620.0 ic4h8+ho2<=>ic4h8o2h-t 3.970e+011 0.000 12620.0 ic4h8o2h-t<=>ic4h8o+oh 3.090e+012 0.000 13400.0 tc4h8o2h-i<=>ic4h8o+oh 3.980e+012 0.000 17000.0 ic4h8o2h-i=>oh+ch2o+c3h6 8.451e+015 -0.680 29170.0 ic4h8<=>c3h5-t+ch3 1.920e+066 -14.220 128100.0 ic4h8<=>ic4h7+h 3.070e+055 -11.490 114300.0 ic4h8+h<=>c3h6+ch3 5.680e+033 -5.720 20000.0 ic4h8+h<=>ic4h7+h2 3.400e+005 2.500 2492.0 ic4h8+o=>ch2co+ch3+ch3 3.330e+007 1.760 76.0 ic4h8+o=>ic3h6co+h+h 1.660e+007 1.760 76.0 ic4h8+o<=>ic4h7+oh 1.206e+011 0.700 7633.0 ic4h8+ch3<=>ic4h7+ch4 4.420e+000 3.500 5675.0 ic4h8+ho2<=>ic4h7+h2o2 1.928e+004 2.600 13910.0 ic4h8+o2cho<=>ic4h7+ho2cho 1.928e+004 2.600 13910.0 ic4h8+o2<=>ic4h7+ho2 6.000e+012 0.000 39900.0 ic4h8+c3h5-a<=>ic4h7+c3h6 7.940e+011 0.000 20500.0 ic4h8+c3h5-s<=>ic4h7+c3h6 7.940e+011 0.000 20500.0 ic4h8+c3h5-t<=>ic4h7+c3h6 7.940e+011 0.000 20500.0 ic4h8+oh<=>ic4h7+h2o 5.200e+006 2.000 -298.0 ic4h8+o<=>ic3h7+hco 1.580e+007 1.760 -1216.0 ic4h8+ch3o2<=>ic4h7+ch3o2h 1.928e+004 2.600 13910.0 ic4h8+ho2<=>ic4h8o+oh 1.290e+012 0.000 13340.0 ic4h7+o2<=>ic3h5cho+oh 2.470e+013 -0.450 23020.0 ic4h7+o2<=>ch3coch2+ch2o 7.140e+015 -1.210 21050.0 ic4h7+o2=>c3h4-a+ch2o+oh 7.290e+029 -5.710 21450.0 ic4h7+o<=>ic3h5cho+h 6.030e+013 0.000 0.0 ic4h7<=>c3h4-a+ch3 1.230e+047 -9.740 74260.0 ch3o2+ic4h7<=>ch3o+ic4h7o 7.000e+012 0.000 -1000.0 ic4h7+ho2<=>ic4h7o+oh 7.000e+012 0.000 -1000.0 c3h5-t+ch2o<=>ic4h7o 1.000e+011 0.000 12600.0 ic4h7o<=>ic4h6oh 1.391e+011 0.000 15600.0 ic4h7o<=>ic3h5cho+h 5.000e+013 0.000 29100.0 ic4h6oh+h2<=>ic4h7oh+h 2.160e+004 2.380 18990.0 ic4h7oh+o2<=>ic4h6oh+ho2 6.000e+013 0.000 39900.0 ic4h6oh+ch2o<=>ic4h7oh+hco 6.300e+008 1.900 18190.0 ic4h6oh+ic4h8<=>ic4h7oh+ic4h7 4.700e+002 3.300 19840.0 ic4h6oh+h<=>ic4h7oh 1.000e+014 0.000 0.0 ic4h6oh+h2o2<=>ic4h7oh+ho2 7.830e+005 2.050 13580.0 c3h4-a+ch2oh<=>ic4h6oh 1.000e+011 0.000 9200.0 ic4h7o+o2<=>ic3h5cho+ho2 3.000e+010 0.000 1649.0 ic4h7o+ho2<=>ic3h5cho+h2o2 3.000e+011 0.000 0.0 ic4h7o+ch3<=>ic3h5cho+ch4 2.400e+013 0.000 0.0 ic4h7o+o<=>ic3h5cho+oh 6.000e+012 0.000 0.0 ic4h7o+oh<=>ic3h5cho+h2o 1.810e+013 0.000 0.0 ic4h7o+h<=>ic3h5cho+h2 1.990e+013 0.000 0.0 ic3h5cho+oh<=>ic3h5co+h2o 2.690e+010 0.760 -340.0 ic3h5cho+ho2<=>ic3h5co+h2o2 1.000e+012 0.000 11920.0 ic3h5cho+ch3<=>ic3h5co+ch4 3.980e+012 0.000 8700.0 ic3h5cho+o<=>ic3h5co+oh 7.180e+012 0.000 1389.0 ic3h5cho+o2<=>ic3h5co+ho2 2.000e+013 0.000 40700.0 ic3h5cho+h<=>ic3h5co+h2 2.600e+012 0.000 2600.0 ic3h5co<=>c3h5-t+co 1.278e+020 -1.890 34460.0 tc3h6ocho+oh<=>tc3h6cho+ho2 2.018e+017 -1.200 21010.0 tc3h6ocho<=>ch3coch3+hco 3.980e+013 0.000 9700.0 ic3h5cho+h<=>tc3h6cho 1.300e+013 0.000 1200.0 ic3h6co+h<=>tc3h6cho 1.300e+013 0.000 4800.0 tc3h6cho+h2<=>ic3h7cho+h 2.160e+005 2.380 18990.0 ic4h7o+oh<=>ic4h7ooh 1.000e+011 0.000 0.0 ic4h7o+h<=>ic4h7oh 4.000e+013 0.000 0.0 ic4h7oh+h<=>ic4h8oh 1.000e+013 0.000 1200.0 ic4h7o+h2<=>ic4h7oh+h 9.050e+006 2.000 17830.0 ic4h7+oh<=>ic4h7oh 3.000e+013 0.000 0.0 ic4h7oh+hco<=>ic4h7o+ch2o 3.020e+011 0.000 18160.0 tc3h6cho+ch2o<=>ic3h7cho+hco 2.520e+008 1.900 18190.0 tc3h6cho+ic4h8<=>ic3h7cho+ic4h7 4.700e+002 3.300 19840.0 ic3h6co+oh<=>ic3h7+co2 1.730e+012 0.000 -1010.0 ch3coch3+h<=>tc3h6oh 8.000e+012 0.000 9500.0 ic3h5oh+h<=>tc3h6oh 6.250e+011 0.510 4020.0 c3h5-t+oh<=>ic3h5oh 5.000e+013 0.000 0.0 tc3h6cho+o2<=>tc3h6o2cho 1.990e+017 -2.100 0.0 tc3h6o2cho<=>ic3h5o2hcho 6.000e+011 0.000 29880.0 tc3h6o2cho<=>tc3h6o2hco 1.000e+011 0.000 25750.0 ic3h5cho+ho2<=>ic3h5o2hcho 2.230e+011 0.000 10600.0 tc3h6o2hco=>ch3coch3+co+oh 4.244e+018 -1.430 4800.0 tc3h6oh+o2<=>ch3coch3+ho2 2.230e+013 0.000 0.0 ic3h6co+oh<=>tc3h6oh+co 2.000e+012 0.000 -1010.0 tc3h6cho+ho2<=>ic3h7cho+o2 3.675e+012 0.000 1310.0 tc3h6cho+ch3<=>ic3h5cho+ch4 3.010e+012 -0.320 -131.0 tc4h8cho<=>ic3h5cho+ch3 1.000e+013 0.000 26290.0 tc4h8cho<=>ic4h8+hco 8.520e+012 0.000 20090.0 tc4h8cho+o2<=>o2c4h8cho 2.000e+012 0.000 0.0 o2c4h8cho<=>o2hc4h8co 2.160e+011 0.000 15360.0 ic4h8o2h-t+co<=>o2hc4h8co 1.500e+011 0.000 4809.0 ic4h7o+ic4h8<=>ic4h7oh+ic4h7 2.700e+011 0.000 4000.0 ic4h6oh+ho2=>ch2cch2oh+ch2o+oh 1.446e+013 0.000 0.0 ic4h8+ch2cch2oh<=>ic4h7+c3h5oh 7.940e+011 0.000 20500.0 ch2cch2oh+h2o2<=>c3h5oh+ho2 3.010e+009 0.000 2583.0 c3h5oh+oh<=>ch2cch2oh+h2o 5.060e+012 0.000 5960.0 c3h5oh+h<=>ch2cch2oh+h2 3.900e+005 2.500 5821.0 c3h5oh+o2<=>ch2cch2oh+ho2 4.000e+013 0.000 60690.0 c3h5oh+ch3<=>ch2cch2oh+ch4 2.400e+011 0.000 8030.0 ch2cch2oh+ch3<=>ic4h7oh 3.000e+013 0.000 0.0 ch2cch2oh+h<=>c3h5oh 1.000e+014 0.000 0.0 ch2cch2oh+o2=>ch2oh+co+ch2o 4.335e+012 0.000 0.0 ch2cch2oh<=>c2h2+ch2oh 2.163e+040 -8.310 45110.0 c3h4-a+oh<=>ch2cch2oh 8.500e+012 0.000 2000.0 !end !-------------------------------------------------------------------------------! ! n-butanol sub mechanism ! ! class 1 unimol decomposition with troe fits ! ! ! ! ! ! ! unimolecular decomposition of h atoms ! ! ! class 2 h atom abstraction rxns ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! class 3beta scission rxns ! !c4h8oh-1 ! !c4h8oh-2 c4h8-1+oh<=>c4h8oh-2 9.93e+11 0.00 -9.60e+02 !ref black oh addition to 1c4h8 c3h5oh+ch3<=>c4h8oh-2 1.76e+04 2.48 6.13e+03 !ref henry ch3 addition to c3h6 to produce 2c4h9 h+c4h7oh2-1<=>c4h8oh-2 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7 h+c4h7oh1-1<=>c4h8oh-2 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c4h8oh-3 c3h6+ch2oh<=>c4h8oh-3 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 c4h7oh1-4+h<=>c4h8oh-3 4.24e+11 0.51 1.23e+03 !ref henry h addition to c3h6 to produce ic3h7 c4h7oh2-1+h<=>c4h8oh-3 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c4h8oh-4 ! ! the rxn pc4h9o <=> ch2o+nc3h7 is included above. h+nc3h7cho<=>pc4h9o 1.000e+12 0.00 5.860e+03 ! !class 4 isomerization rxns ! ! pc4h9o<=>c4h8oh-3 5.32e-10 6.204 6.710e+03 !5m ! ! class 5 h atom asbtraction from butenols ! abstract h from allylic site only ! ! h atom asbtraction from butenols ! abstract h from allylic site only and leads to a lumped radical c4h7oh2-1+h<=>c4h6oh1-32+h2 1.730e+05 2.500 2.492e+03 c4h7oh2-1+o<=>c4h6oh1-32+oh 5.240e+11 0.700 5.884e+03 c4h7oh2-1+oh<=>c4h6oh1-32+h2o 3.120e+06 2.000 -2.980e+02 c4h7oh2-1+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh2-1+ho2<=>c4h6oh1-32+h2o2 2.700e+04 2.500 1.234e+04 c4h7oh2-1+ch3o2<=>c4h6oh1-32+ch3o2h 2.700e+04 2.500 1.234e+04 ! !h atom asbtraction from butenols ! abstract h from allylic site only and leads to a lumped radical c4h7oh1-4+h<=>c4h6oh1-32+h2 3.376e+05 2.360 2.070e+02 c4h7oh1-4+o<=>c4h6oh1-32+oh 9.590e+12 0.000 1.967e+03 c4h7oh1-4+oh<=>c4h6oh1-32+h2o 2.764e+04 2.640 -1.919e+03 c4h7oh1-4+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh1-4+ho2<=>c4h6oh1-32+h2o2 4.820e+03 2.550 1.053e+04 c4h7oh1-4+ch3o2<=>c4h6oh1-32+ch3o2h 4.820e+03 2.550 1.053e+04 c4h7oh1-4+ch3o<=>c4h6oh1-32+ch3oh 4.000e+01 2.900 8.609e+03 ! !h atom asbtraction from butenols ! abstract h from allylic site only and leads to a lumped radical c4h7oh2-2+h<=>c4h6oh1-32+h2 1.730e+05 2.500 2.492e+03 c4h7oh2-2+o<=>c4h6oh1-32+oh 5.240e+11 0.700 5.884e+03 c4h7oh2-2+oh<=>c4h6oh1-32+h2o 3.120e+06 2.000 -2.980e+02 c4h7oh2-2+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh2-2+ho2<=>c4h6oh1-32+h2o2 2.700e+04 2.500 1.234e+04 c4h7oh2-2+ch3o2<=>c4h6oh1-32+ch3o2h 2.700e+04 2.500 1.234e+04 ! ! !h atom asbtraction from butenols ! abstract h from allylic site only c4h7oh1-2+h<=>c4h6oh1-32+h2 1.730e+05 2.500 2.492e+03 c4h7oh1-2+o<=>c4h6oh1-32+oh 5.240e+11 0.700 5.884e+03 c4h7oh1-2+oh<=>c4h6oh1-32+h2o 3.120e+06 2.000 -2.980e+02 c4h7oh1-2+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh1-2+ho2<=>c4h6oh1-32+h2o2 2.700e+04 2.500 1.234e+04 c4h7oh1-2+ch3o2<=>c4h6oh1-32+ch3o2h 2.700e+04 2.500 1.234e+04 ! !h atom asbtraction from butenols ! abstract h from allylic site only c4h7oh1-1+h<=>c4h6oh1-13+h2 3.376e+05 2.360 2.070e+02 c4h7oh1-1+o<=>c4h6oh1-13+oh 9.590e+12 0.000 1.967e+03 c4h7oh1-1+oh<=>c4h6oh1-13+h2o 2.764e+04 2.640 -1.919e+03 c4h7oh1-1+ch3<=>c4h6oh1-13+ch4 3.690e+00 3.310 4.002e+03 c4h7oh1-1+ho2<=>c4h6oh1-13+h2o2 4.820e+03 2.550 1.053e+04 c4h7oh1-1+ch3o2<=>c4h6oh1-13+ch3o2h 4.820e+03 2.550 1.053e+04 c4h7oh1-1+ch3o<=>c4h6oh1-13+ch3oh 4.000e+01 2.900 8.609e+03 ! ! ! ! class 6 keto-enol isomerizations ! ! rxns for propenols and butenols c4h7oh1-1+ho2<=>nc3h7cho+ho2 1.490e+05 1.67 6.810e+03 c4h7oh1-2+ho2<=>c2h5coch3 +ho2 1.490e+05 1.67 6.810e+03 c4h7oh2-2+ho2<=>c2h5coch3+ho2 1.490e+05 1.67 6.810e+03 ! ch3chchoh+ho2<=>c2h5cho+ho2 1.490e+05 1.67 6.810e+03 ic3h5oh+ho2<=>ch3coch3+ho2 1.490e+05 1.67 6.810e+03 ! ! formic acid catalyzed keto-enol isomerization c2h3oh+hocho<=>ch3cho+hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / c4h7oh1-1+ hocho <=>nc3h7cho+ hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / c4h7oh1-2+ hocho <=>c2h5coch3 + hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / c4h7oh2-2+ hocho <=>c2h5coch3+ hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ! ch3chchoh+ hocho <=>c2h5cho+ hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ic3h5oh+ hocho <=>ch3coch3+ hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ! ! tautomerization of 1-propenol (ch3chchoh) to propanal (c2h5cho) ! ch3chchoh<=>c2h5cho 8.59e+11 0.318 5.59e4 ! ic3h5oh<=>ch3coch3 8.59e+11 0.318 5.59e+04 ! ! tautomerization of 1-butenol (c4h7oh-1) to propanal (nc3h7cho) ! c4h7oh1-1<=>nc3h7cho 8.59e+11 0.318 5.59e+04 ! ! tautomerization of c4h7oh1-2 to ethylmethylketone (c2h5coch3) ! c4h7oh2-1<=>c2h5coch3 8.59e+11 0.318 5.59e4 ! ! tautomerization of c4h7oh2-2 to ethylmethylketone (c2h5coch3) ! c4h7oh2-2<=>c2h5coch3 8.59e+11 0.318 5.59e4 ! ! tautomerization of ic3h6choh to ibutanal (ic3h7cho) ! ! ! class 7 o2 and h addition to butenols ! ! o2 addition to butenols c4h7oh2-1+o2<=>c4h6oh1-32+ho2 6.000e+12 0.000 3.719e+04 ! ! o2 addition to butenols c4h7oh1-4+o2<=>c4h6oh1-32+ho2 6.000e+12 0.000 3.719e+04 ! ! o2 addition to butenols c4h7oh2-2+o2<=>c4h6oh1-32+ho2 6.000e+12 0.000 3.719e+04 ! ! o2 addition rxn c4h7oh1-2+o2<=>c4h6oh1-32+ho2 4.000e+12 0.000 3.990e+04 ! ! o2 addition rxn c4h7oh1-1+o2<=>c4h6oh1-13+ho2 4.000e+12 0.000 3.719e+04 ! !hydrogen atom addition to double bond ! c3h5oh+h<=>c2h4+ch2oh 6.26e+13 0.0 4.50e3 ic3h5oh+h<=>c2h3oh+ch3 6.26e+13 0.0 4.50e3 ic3h5oh+h<=>c3h6+oh 6.26e+13 0.0 4.50e3 ch3chchoh+h<=>c2h3oh+ch3 6.26e+13 0.0 4.50e3 ch3chchoh+h<=>c3h6+oh 6.26e+13 0.0 4.50e3 c4h7oh1-1+h<=>c4h8-1+oh 6.26e+13 0.0 4.50e3 c4h7oh1-1+h<=>c2h3oh+c2h5 6.26e+13 0.0 4.50e3 c4h7oh1-2+h<=>c4h8-1+oh 6.26e+13 0.0 4.50e3 c4h7oh1-2+h<=>c2h3oh+c2h5 6.26e+13 0.0 4.50e3 c4h7oh2-2+h<=>ic3h5oh+ch3 6.26e+13 0.0 4.50e3 c4h7oh2-2+h<=>c4h8-2+oh 6.26e+13 0.0 4.50e3 c4h7oh2-2+h<=>ch3chchoh+ch3 6.26e+13 0.0 4.50e3 ic3h5ch2oh+h<=>ch3+c3h5oh 6.26e+13 0.0 4.50e3 c4h7oh1-4+h<=>c2h4+pc2h4oh 6.26e+13 0.0 4.50e3 c4h7oh2-1+h<=>c3h6+ch2oh 6.26e+13 0.0 4.50e3 c4h7oh2-1+h<=>c4h8-2+oh 6.26e+13 0.0 4.50e3 c4h7oh2-1+h<=>ch3chchoh+ch3 6.26e+13 0.0 4.50e3 ! ! ! class 8 ! decomposition of butenol radicals c4h6oh1-32<=>c4h6+oh 7.035e+16 -1.012 3.607e+04 ! c4h6oh1-13<=>c4h5oh-13+h 7.722e+12 0.488 4.394e+04 ! ! ! class 8 for propenols c3h6+oh<=>ic3h6oh 2.92e+12 0.00 -1.0e+03 !ref johnson et al. propanol 2009 c3h6+oh c2h3oh+ch3<=>ic3h6oh 1.89e+03 2.67 6.85e+03 !ref ch3 addition to c3h6 to produce ic4h9 ic3h5oh+h<=>ic3h6oh 6.25e+11 0.51 2.62e+03 !ref h addition to ic4h8 to produce ic4h9 ! !c3h6oh-1 c2h5cho+h<=>c3h6oh-1 4.24e11 0.51 1.23e+03 !ref h addition to c3h6 to produce ic3h7 ch3chchoh+h<=>c3h6oh-1 2.50e11 0.51 2.62e+03 !ref h addition to c3h6 to produce nc3h7 ch3+c2h3oh<=>c3h6oh-1 1.76e04 2.48 6.130e+03 !ref ch3 addition to c3h6 to produce sc4h9 ! !c3h6oh-2 c3h6+oh<=>c3h6oh-2 4.95e+11 0.00 -9.600e+02 !ref johnson et al. propanol 2009 c3h6+oh h+ch3chchoh<=>c3h6oh-2 2.50e11 0.51 2.62e+03 !ref h addition to c3h6 to produce nc3h7 h+c3h5oh<=>c3h6oh-2 4.24e11 0.51 1.23e+03 !ref h addition to c3h6 to produce ic3h7 ! ! ! class 9 unimolecular decomposition of butenols. ! ! !unimolecular decomposition of butenols. ! c4h7oh2-1<=>c4h71-3+oh 2.367e+20 -1.189 9.434e+04 c4h7oh2-1<=>c3h5-a+ch2oh 6.644e+19 -1.132 7.459e+04 ! ! unimolecular decomposition of butenols. ! c4h7oh1-4<=>c4h71-4+oh 2.367e+20 -1.189 9.434e+04 c4h7oh1-4<=>c2h3+pc2h4oh 6.644e+19 -1.132 7.459e+04 ! ! unimolecular decomposition of butenols. ! c4h7oh2-2<=>c4h72-2+oh 2.367e+20 -1.189 9.434e+04 ! !unimolecular decomposition of butenols. ! c4h7oh1-2<=>c4h71-2+oh 5.887e+19 -0.956 9.595e+04 c4h7oh1-2<=>c2h5+ch2cho 2.214e+22 -1.576 9.752e+04 ! !unimolecular decomposition of butenols. ! c4h7oh1-1<=>c2h5+ch2cho 2.214e+22 -1.576 9.752e+04 c4h7oh1-1<=>c4h71-1+oh 5.887e+19 -0.956 9.595e+04 ! ! ! reactions of di-butenols c4h5oh-13<=>c4h5-n+oh 5.610e+21 -1.612 1.060e+05 c4h5oh-13<=>c2h3+ch2cho 2.816e+24 -2.381 9.013e+04 ! ! ! ! ! end of n-butanol sub-mechanism ! ! ! start iso-pentenol mechanism ! ! ***************class 1 unimol decomposition with troe fits ***************************** ! !ic5h11oh(+m)<=>ch3+c4h8oh-3(+m) 4.000e+027 -3.110 9.2179e+04 !from iso-butanol !low /4.0463e+066 -14.122 9.0777e+04 / !troe /1.4416e-01 8.3591e+02 4.8482e+06 4.5473e+03 / !ic5h11oh<=>ch3+c4h8oh-3 1.170e+025 -2.457 8.819e+04 !from Zhao et al. R3-RC3 ic5h11oh<=>ch3+c4h8oh-3 1.170e+026 -2.457 8.819e+04 ! a*10 ! PLOG / 0.01 4.12E+113 -28.629 135330. / ! PLOG / 0.0395 1.43E+105 -26.02 132170. / ! PLOG / 1.0 1.600E+77 -17.679 118480. / ! PLOG / 10.0 1.140E+55 -11.204 106110. / ! PLOG / 100.0 4.250E+37 -6.15 95860. / PLOG / 0.01 4.12E+114 -28.629 135330. / ! a*10 PLOG / 0.0395 1.43E+106 -26.02 132170. / ! a*10 PLOG / 1.0 1.600E+78 -17.679 118480. / ! a*10 PLOG / 10.0 1.140E+56 -11.204 106110. / ! a*10 PLOG / 100.0 4.250E+38 -6.15 95860. / ! a*10 ! !ic5h11oh(+m)<=>ic3h7+pc2h4oh(+m) 3.250e+025 -2.413 8.7976e+04 !from iso-butanol !low /1.2327e+073 -15.724 9.2616e+04 / !troe /1.3423e-01 7.7539e+02 4.0069e+07 4.4281e+03 / ic5h11oh<=>ic3h7+pc2h4oh 3.440e+025 -2.455 8.805e+04 !from Zhao et al. R2-RC3 PLOG / 0.01 3.89E+109 -27.335 132780. / PLOG / 0.0395 1.78E+102 -25.04 130260. / PLOG / 1.0 1.160E+76 -17.214 117600. / PLOG / 10.0 2.790E+54 -10.895 105530. / PLOG / 100.0 1.960E+37 -5.92 95440. / ! !ic5h11oh(+m)<=>ic4h9+ch2oh(+m) 5.530e+24 -2.230 8.901e+04 ! from n-butanol !!rev/ 2.002e+13 0.004 5.140e+02 / !low /6.6320e+59 -1.2130e+01 8.4720e+04 / !troe / 2.4380e-01 7.4406e+02 5.0000e+09 5.0000e+09 / !troe fall-off reaction ic5h11oh<=>ic4h9+ch2oh 6.400e+23 -2.229 8.601e+04 ! from Zhao et al. R1-RC3 PLOG / 0.01 3.050E+91 -22.360 121070. / PLOG / 0.0395 2.690E+86 -20.730 119870. / PLOG / 1.0 2.140E+65 -14.382 110180. / ! PLOG / 10.0 2.790E+54 -10.895 105530. / PLOG / 100.0 2.860E+32 -4.80 91540. / ! !ic5h11oh(+m)<=>oh+dc5h11(+m) 6.330e+20 -1.370 9.493e+04 ! from n-butanol !!rev/ 2.422e+13 -0.003 6.280e+02 / !low /6.9020e+51 -1.0210e+01 8.9200e+04 / !troe / 7.0300e-01 9.8820e+09 6.3468e+02 1.7860e+09 / !troe fall-off reaction ic5h11oh<=>oh+dc5h11 1.880e+22 -1.689 9.664e+04 ! from Zhao et al. R5-RC3 PLOG / 0.01 3.57E+106 -26.961 137870. / PLOG / 0.0395 3.94E+102 -25.57 138110. / PLOG / 1.0 6.670E+80 -18.858 129720. / PLOG / 10.0 2.000E+58 -12.210 117860. / PLOG / 100.0 9.380E+37 -6.29 106190. / ! ic5h11oh(+m)<=>h+ic5h11o(+m) 6.040e+14 0.100 1.038e+05 ! from n-butanol !rev/ 9.943e+13 0.004 -1.050e+03 / low /2.4080e+39 -7.0300e+00 9.5960e+04 / troe / 3.8650e-01 5.6491e+02 4.4380e+09 6.7100e+09 / !troe fall-off reaction ! !ic5h11oh(+m)<=>cc5h10+h2o(+m) 3.520e+13 0.000 6.723e+04 ! from n-butanol !!rev/ 5.441e+05 1.794 5.830e+04 / !low /1.6900e+75 -1.7040e+01 6.4750e+04 / !troe / 8.0000e-02 1.0000e+00 9.9240e+09 9.9240e+09 / !troe fall-off reaction ic5h11oh<=>cc5h10+h2o 5.020e+8 1.522 6.619e+04 ! from Zhao et al. PLOG / 0.01 1.610E+87 -21.459 110100. / PLOG / 0.0395 9.430E+77 -18.68 105860. / PLOG / 1.0 1.720E+51 -10.799 91720. / PLOG / 10.0 2.190E+32 -5.303 80850. / PLOG / 100.0 4.440E+18 -1.34 72670. / ! !********************** unimolecular decomposition of h atoms *********************** h+ic5h10oh-1<=>ic5h11oh 4.00e+13 0.0 0.000 h+ic5h10oh-2<=>ic5h11oh 4.00e+13 0.0 0.000 h+ic5h10oh-3<=>ic5h11oh 4.00e+13 0.0 0.000 h+ic5h10oh-4<=>ic5h11oh 4.00e+13 0.0 0.000 ! !*************************h-abstraction********************************************* ! c-4 taken from primary alkanes ! c-3 taken as tertiary alkane, except for oh and ho2 when treated as gamma with bde corrected for tertiary ! everything else taken from butanol model !*********************************************************************************** !**** h ***** ic5h11oh+h<=>ic5h10oh-4+h2 1.330e+06 2.54 6.756e+03 !primary alkane rule Ax2 ic5h11oh+h<=>ic5h10oh-3+h2 6.020e+05 2.40 2.583e+03 !tertiary alkane rule ic5h11oh+h<=>ic5h10oh-2+h2 1.080e+05 2.690 4.440e+03 !butanol beta ic5h11oh+h<=>ic5h10oh-1+h2 8.789e+04 2.680 2.915e+03 !butanol ic5h11oh+h<=>ic5h11o+h2 9.450e+02 3.140 8.701e+03 !butanol !***** oh ****** ic5h11oh+oh<=>ic5h10oh-4+h2o 1.054e+10 0.97 1.586e+03 !primary alkane rule Ax2 ic5h11oh+oh<=>ic5h10oh-3+h2o 0.705e+03 2.87 -4.130e+03 !butanol gamma, -3*.4kcal Ea for BDE and A/2 ic5h11oh+oh<=>ic5h10oh-2+h2o 1.540e+00 3.700 -3.736e+03 !butanol ic5h11oh+oh<=>ic5h10oh-1+h2o 3.610e+03 2.890 -2.291e+03 !butanol ic5h11oh+oh<=>ic5h11o+h2o 5.880e+02 2.820 -5.850e+02 !butanol !****** o ******* ic5h11oh+o<=>ic5h10oh-4+oh 1.962e+06 2.43 4.750e+03 !primary alkane rule Ax2 ic5h11oh+o <=>ic5h10oh-3+oh 3.830e+05 2.410 1.140e+03 !tertiary alkane rule ic5h11oh+o<=>ic5h10oh-2+oh 1.440e+05 2.610 3.029e+03 !butanol ic5h11oh+o<=>ic5h10oh-1+oh 1.45e+05 2.470 8.760e+02 !butanol ic5h11oh+o<=>ic5h11o+oh 1.460e-03 4.730 1.727e+03 !butanol !******* o2 ******** ic5h11oh+o2 <=> ho2+ic5h10oh-4 6.000e+13 0.00 5.280e+04 !primary alkane rule Ax2 ic5h11oh+o2 <=> ho2+ic5h10oh-3 1.000e+13 0.00 4.820e+04 !tertiary alkane rule ic5h11oh+o2 <=> ho2+ic5h10oh-2 2.000e+13 0.000 4.980e+04 !butanol ic5h11oh+o2 <=> ho2+ic5h10oh-1 2.000e+13 0.000 4.680e+04 !butanol ic5h11oh+o2 <=> ho2+ic5h11o 1.000e+13 0.000 5.634e+04 !butanol !******* ho2 ******** ic5h11oh+ho2<=>ic5h10oh-4+h2o2 4.080e+01 3.590 1.716e+04 !primary alkane rule Ax2 ic5h11oh+ho2<=>ic5h10oh-3+h2o2 1.380e-04 4.760 8.850e+03 !butanol gamma, -3 kcal Ea for BDE and A/2 ic5h11oh+ho2<=>ic5h10oh-2+h2o2 7.510e-03 4.520 1.471e+04 !butanol ic5h11oh+ho2<=>ic5h10oh-1+h2o2 3.50e-05 5.260 8.268e+03 !butanol ic5h11oh+ho2<=>ic5h11o+h2o2 6.470e-07 5.300 1.053e+04 !butanol !******* ch3 ******* ic5h11oh+ch3<=>ic5h10oh-4+ch4 9.060e-01 3.650 7.154e+03 !primary alkane rule Ax2 ic5h11oh+ch3<=>ic5h10oh-3+ch4 6.010e-10 6.360 8.930e+02 !tertiary alkane rule ic5h11oh+ch3<=>ic5h10oh-2+ch4 8.020e+00 3.230 6.461e+03 !butanol ic5h11oh+ch3<=>ic5h10oh-1+ch4 1.993e+01 3.370 7.634e+03 !butanol ic5h11oh+ch3<=>ic5h11o+ch4 1.020e+00 3.570 8.221e+03 !butanol !******* hco *********** ic5h11oh+hco<=>ic5h10oh-4+ch2o 2.040e+05 2.500 1.844e+04 !butanol Ax2 ic5h11oh+hco<=>ic5h10oh-3+ch2o 5.450e+06 1.900 1.701e+04 !butanol gamma a/2 ic5h11oh+hco<=>ic5h10oh-2+ch2o 5.160e+05 2.250 1.676e+04 !butanol ic5h11oh+hco<=>ic5h10oh-1+ch2o 1.000e+07 1.900 1.700e+04 !butanol ic5h11oh+hco<=>ic5h11o+ch2o 3.400e+04 2.500 1.350e+04 !butanol !********* ch2oh ******** ic5h11oh+ch2oh<=>ic5h10oh-4+ch3oh 2.020e+02 2.950 1.397e+04 !butanol Ax2 ic5h11oh+ch2oh<=>ic5h10oh-3+ch3oh 3.010e+01 2.950 1.198e+04 !butanol gamma a/2 ic5h11oh+ch2oh<=>ic5h10oh-2+ch3oh 1.530e+01 3.110 1.221e+04 !butanol ic5h11oh+ch2oh<=>ic5h10oh-1+ch3oh 6.000e+01 2.950 1.200e+04 !butanol ic5h11oh+ch2oh<=>ic5h11o+ch3oh 1.200e+02 2.760 1.080e+04 !butanol !******** ch3o ********** ic5h11oh+ch3o<=>ic5h10oh-4+ch3oh 3.000e+11 0.000 7.000e+03 !primary alkane rule Ax2 ic5h11oh+ch3o<=>ic5h10oh-3+ch3oh 1.900e+10 0.000 2.800e+03 !tertiary alkane rule ic5h11oh+ch3o<=>ic5h10oh-2+ch3oh 3.020e+10 0.180 4.703e+03 !butanol ic5h11oh+ch3o<=>ic5h10oh-1+ch3oh 1.500e+11 0.000 4.500e+03 !butanol ic5h11oh+ch3o<=>ic5h11o+ch3oh 2.300e+10 0.000 2.900e+03 !butanol !******* ch3o2 ******** ic5h11oh+ch3o2<=>ic5h10oh-4+ch3o2h 1.386e+00 3.970 1.828e+04 !primary alkane rule Ax2 ic5h11oh+ch3o2<=>ic5h10oh-3+ch3o2h 2.060e+02 3.120 1.319e+04 !tertiary alkane rule ic5h11oh+ch3o2<=>ic5h10oh-2+ch3o2h 5.360e-04 4.660 1.352e+04 !butanol ic5h11oh+ch3o2<=>ic5h10oh-1+ch3o2h 2.550e-02 4.340 9.022e+03 !butanol ic5h11oh+ch3o2<=>ic5h11o+ch3o2h 5.600e-03 4.120 1.673e+04 ! butanol !******** c2h5 ******** ic5h11oh+c2h5<=>ic5h10oh-4+c2h6 1.580e+11 0.000 1.230e+04 !primary alkane rule Ax2 ic5h11oh+c2h5<=>ic5h10oh-3+c2h6 1.000e+11 0.00 7.900e+03 !tertiary alkane rule ic5h11oh+c2h5<=>ic5h10oh-2+c2h6 5.010e+10 0.00 1.040e+04 !butanol ic5h11oh+c2h5<=>ic5h10oh-1+c2h6 2.010e+11 0.00 7.900e+03 !butanol ic5h11oh+c2h5<=>ic5h11o+c2h6 1.670e10 0.00 1.340e+04 !butanol ! !********************** isomerization reactions ********************************************************** ! ic5h11o<=>ic5h10oh-3 2.66e-10 6.204 6.710e+03 !5m, t, butanol sec a/2, ea -3 kcal ic5h11o<=>ic5h10oh-4 2.64e-01 3.632 2.689e+03 !6m, p, from butanol ax2 ! ic5h10oh-4<=>ic5h10oh-1 3.30e-19 8.638 5.268e+03 !5m, butanol ! ! ! !************************ beta scission rxns **************************************************************** ! ! c3h6+pc2h4oh<=>ic5h10oh-4 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 ch3+c4h7oh1-4<=>ic5h10oh-4 1.89e+03 2.67 6.850e+03 !ref henry ch3 addition to c3h6 to produce ic4h9 h+ic5h9oh1-3<=>ic5h10oh-4 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7 ! ic4h8+ch2oh<=>ic5h10oh-3 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 h+ic5h9oh1-3<=>ic5h10oh-3 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7 h+ic5h9oh1-2<=>ic5h10oh-3 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7/ ! cc5h10+oh<=>ic5h10oh-2 9.93e+11 0.00 -9.60e+02 !ref black oh addition to 1c4h8 c4h7oh2-1+ch3<=>ic5h10oh-2 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 h+ic5h9oh1-2<=>ic5h10oh-2 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7/ h+ic5h9oh1-1<=>ic5h10oh-2 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7/ ! c2h3oh+ic3h7<=>ic5h10oh-1 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 ic4h9cho+h<=>ic5h10oh-1 8.00e+12 0.00 9.500e+03 !ref:analogy with ch3choh --> ch3cho + h. natarajan & bhaskaran symp. intl. shock 130.400 3.543e+04 ic5h9oh1-1+h<=>ic5h10oh-1 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! h+ic4h9cho<=>ic5h11o 1.000e+12 0.00 5.860e+03 ic4h9+ch2o<=>ic5h11o 5.000e+10 0.00 3.457e+03 ! ! !********************* iso-pentenol chemistry *********************************************** ! ! !*** class 5 h-abstraction from enols*** ! allylic h-abstraction dominant, taken from pentene ! ic5h9oh1-3+h<=>ic5h8oh32+h2 3.376e+05 2.360 2.070e+02 ic5h9oh1-3+o<=>ic5h8oh32+oh 9.900e+05 2.430 1.210e+03 ic5h9oh1-3+oh<=>ic5h8oh32+h2o 2.764e+04 2.640 -1.919e+03 ic5h9oh1-3+ch3<=>ic5h8oh32+ch4 3.690e+00 3.310 4.002e+03 ic5h9oh1-3+ho2<=>ic5h8oh32+h2o2 4.820e+03 2.550 1.053e+04 ic5h9oh1-3+ch3o2<=>ic5h8oh32+ch3o2h 4.820e+03 2.550 1.053e+04 ic5h9oh1-3+ch3o<=>ic5h8oh32+ch3oh 4.000e+01 2.900 8.609e+03 ic5h9oh1-3+o2<=>ic5h8oh32+ho2 6.000e+12 0.000 3.719e+04 ! ic5h9oh1-2+h<=>ic5h8oh32+h2 1.730e+05 2.500 2.492e+03 ic5h9oh1-2+o<=>ic5h8oh32+oh 5.240e+11 0.700 5.884e+03 ic5h9oh1-2+oh<=>ic5h8oh32+h2o 3.120e+06 2.000 -2.980e+02 ic5h9oh1-2+ch3<=>ic5h8oh32+ch4 3.690e+00 3.310 4.002e+03 ic5h9oh1-2+ho2<=>ic5h8oh32+h2o2 2.700e+04 2.500 1.234e+04 ic5h9oh1-2+ch3o2<=>ic5h8oh32+ch3o2h 2.700e+04 2.500 1.234e+04 ic5h9oh1-2+ch3o<=>ic5h8oh32+ch3oh 4.000e+01 2.900 8.609e+03 ic5h9oh1-2+o2<=>ic5h8oh32+ho2 6.000e+12 0.000 3.719e+04 ! ic5h9oh1-1+h<=>ic5h8oh32+h2 1.730e+05 2.500 2.492e+03 ic5h9oh1-1+o<=>ic5h8oh32+oh 5.240e+11 0.700 5.884e+03 ic5h9oh1-1+oh<=>ic5h8oh32+h2o 3.120e+06 2.000 -2.980e+02 ic5h9oh1-1+ch3<=>ic5h8oh32+ch4 3.690e+00 3.310 4.002e+03 ic5h9oh1-1+ho2<=>ic5h8oh32+h2o2 2.700e+04 2.500 1.234e+04 ic5h9oh1-1+ch3o2<=>ic5h8oh32+ch3o2h 2.700e+04 2.500 1.234e+04 ic5h9oh1-1+ch3o<=>ic5h8oh32+ch3oh 4.000e+01 2.900 8.609e+03 ic5h9oh1-1+o2<=>ic5h8oh32+ho2 6.000e+12 0.000 3.719e+04 ! ! !*** class 6 keto-enol isomerizations *** ic5h9oh1-1+ho2<=>ic4h9cho+ho2 1.490e+05 1.67 6.810e+03 ! ! formic acid catalyzed keto-enol isomerization ic5h9oh1-1+hocho<=>ic4h9cho+hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ! ! h-catalyzed keto-enol isomerization include rmg rates for low p flame simulations !ic5h9oh1-1+h(+m)=ic4h9cho+h(+m) 1.0e0 0.0 0.0 ! !tcheb / 290.0 3000.0 / pcheb / 0.009869232667160128 98.69232667160128 / !cheb / 5 3 / !cheb / 1.1686000e+01 -8.9255000e-01 -1.8968000e-01 / !cheb / 1.0258000e+00 8.8111000e-01 1.1329000e-01 / !cheb / -1.0827000e-01 1.5423000e-01 1.0637000e-01 / !cheb / -1.1460000e-01 -6.6920000e-02 1.3608000e-02 / !cheb / -4.7884000e-02 -6.4850000e-02 -2.4835000e-02 / ! ! tautomerization of pentenol to iso-pentanal ! ic5h9oh1-1<=>ic4h9cho 8.59e+11 0.318 5.59e+04 ! !**** class 7 o2 and h addition to butenols****** ! ic5h9oh1-1+h<=>cc5h10+oh 6.26e+13 0.00 4.500e+03 ic5h9oh1-1+h<=>c2h3oh+ic3h7 6.26e+13 0.00 4.500e+03 ! ic5h9oh1-2+h<=>cc5h10+oh 6.26e+13 0.00 4.500e+03 ic5h9oh1-2+h<=>ic4h8+ch2oh 6.26e+13 0.00 4.500e+03 ! ic5h9oh1-3+h<=>c3h6+pc2h4oh 6.26e+13 0.00 4.500e+03 ic5h9oh1-3+h<=>ic4h8+ch2oh 6.26e+13 0.00 4.500e+03 ! ! !**** class 8 beta-scission of pentenol radicals ****** ! ic5h8oh32<=>c5h81-3+oh 7.035e+16 -1.012 3.607e+04 !butenol c4h6oh1-32<=>c4h6+oh ic5h8oh32<=>c4h5oh-13+ch3 7.554e+14 -0.520 3.852e+04 !c5h91-3<=>c4h6+ch3 ! ! ! *** class 9 decomposition of enols *** ! ! ic5h9oh1-1<=>ic3h7+ch2cho 2.214e+22 -1.576 9.752e+04 !butenol c4h7oh1-1<=>c2h5+ch2cho ic5h9oh1-2<=>ic4h7+ch2oh 6.644e+19 -1.132 7.459e+04 !butenol c4h7oh2-1<=>c3h5-a+ch2oh ic5h9oh1-3<=>c3h5-t+pc2h4oh 6.644e+19 -1.132 7.459e+04 ! butenol c4h7oh1-4<=>c2h3+pc2h4oh pentane c5h10-1<=> ?? not in the model ! ! class 10 1-hydroxypentyl + o2 reactions to be included in high t mech, treat as reversible ic5h10oh-1+o2<=>ic4h9cho+ho2 3.780e+20 -2.429 3090. !mani added da silva ch3choh+o2<=>ch3cho+ho2 PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! PLOG / 0.01 5.260E+17 -1.637 838. / ! PLOG / 0.1 5.260E+17 -1.637 838. / ! PLOG / 1.0 5.280E+17 -1.638 839. / ! PLOG / 10.0 1.540E+18 -1.771 1120. / ! PLOG / 20.0 1.027E+18 -1.771 1120. / !afactor /1.5 ! PLOG / 40.0 1.890E+20 -2.429 3090. / !afactor /2 ! PLOG / 100.0 1.890E+20 -2.429 3090. / !afactor /2 ! ! ! mani low t mech llnl rules ! ! iso-pentanol ! class 11 r+o2 ! ic5h10oh-1+o2<=>ic5h10oh-1o2 1.00e+12 0.000 0.000e+00 !alpha ic5h10oh-2+o2<=>ic5h10oh-2o2 7.54e+12 0.000 0.000e+00 !secondary ic5h10oh-3+o2<=>ic5h10oh-3o2 1.41e+13 0.000 0.000e+00 !tertiary ic5h10oh-4+o2<=>ic5h10oh-4o2 4.52e+12 0.000 0.000e+00 !primary ! ! class 12 ! ! r + ro2 <=> ro + ro ! ic5h10oh-1+ic5h10oh-1o2<=>ic5h10oh-1o+ic5h10oh-1o 7.000e+12 0.00 -1.000e+03 ic5h10oh-1+ic5h10oh-2o2<=>ic5h10oh-1o+ic5h10oh-2o 7.000e+12 0.00 -1.000e+03 ic5h10oh-1+ic5h10oh-3o2<=>ic5h10oh-1o+ic5h10oh-3o 7.000e+12 0.00 -1.000e+03 ic5h10oh-1+ic5h10oh-4o2<=>ic5h10oh-1o+ic5h10oh-4o 7.000e+12 0.00 -1.000e+03 ! ic5h10oh-2+ic5h10oh-1o2<=>ic5h10oh-2o+ic5h10oh-1o 7.000e+12 0.00 -1.000e+03 ic5h10oh-2+ic5h10oh-2o2<=>ic5h10oh-2o+ic5h10oh-2o 7.000e+12 0.00 -1.000e+03 ic5h10oh-2+ic5h10oh-3o2<=>ic5h10oh-2o+ic5h10oh-3o 7.000e+12 0.00 -1.000e+03 ic5h10oh-2+ic5h10oh-4o2<=>ic5h10oh-2o+ic5h10oh-4o 7.000e+12 0.00 -1.000e+03 ! ic5h10oh-3+ic5h10oh-1o2<=>ic5h10oh-3o+ic5h10oh-1o 7.000e+12 0.00 -1.000e+03 ic5h10oh-3+ic5h10oh-2o2<=>ic5h10oh-3o+ic5h10oh-2o 7.000e+12 0.00 -1.000e+03 ic5h10oh-3+ic5h10oh-3o2<=>ic5h10oh-3o+ic5h10oh-3o 7.000e+12 0.00 -1.000e+03 ic5h10oh-3+ic5h10oh-4o2<=>ic5h10oh-3o+ic5h10oh-4o 7.000e+12 0.00 -1.000e+03 ! ic5h10oh-4+ic5h10oh-1o2<=>ic5h10oh-4o+ic5h10oh-1o 7.000e+12 0.00 -1.000e+03 ic5h10oh-4+ic5h10oh-2o2<=>ic5h10oh-4o+ic5h10oh-2o 7.000e+12 0.00 -1.000e+03 ic5h10oh-4+ic5h10oh-3o2<=>ic5h10oh-4o+ic5h10oh-3o 7.000e+12 0.00 -1.000e+03 ic5h10oh-4+ic5h10oh-4o2<=>ic5h10oh-4o+ic5h10oh-4o 7.000e+12 0.00 -1.000e+03 ! !class 13 r + ho2<=>ro + oh ! ic5h10oh-1+ho2<=>ic5h10oh-1o+oh 7.000e+12 0.00 -1.000e+03 ic5h10oh-2+ho2<=>ic5h10oh-2o+oh 7.000e+12 0.00 -1.000e+03 ic5h10oh-3+ho2<=>ic5h10oh-3o+oh 7.000e+12 0.00 -1.000e+03 ic5h10oh-4+ho2<=>ic5h10oh-4o+oh 7.000e+12 0.00 -1.000e+03 ! ! !class 14 r + ch3o2<=>ro + oh ! ic5h10oh-1+ch3o2<=>ic5h10oh-1o+ch3o 7.000e+12 0.00 -1.000e+03 ic5h10oh-2+ch3o2<=>ic5h10oh-2o+ch3o 7.000e+12 0.00 -1.000e+03 ic5h10oh-3+ch3o2<=>ic5h10oh-3o+ch3o 7.000e+12 0.00 -1.000e+03 ic5h10oh-4+ch3o2<=>ic5h10oh-4o+ch3o 7.000e+12 0.00 -1.000e+03 ! ! class 15 ro2=qooh isomerization ! ic5h10oh-1o2<=>ic5h9oh-1ooh-2 2.000e+11 0.000 2.845e+04 !5s beta, +2kcal ic5h10oh-1o2<=>ic5h9oh-1ooh-3 1.250e+10 0.000 1.870e+04 !6t ic5h10oh-1o2<=>ic5h9oh-1ooh-4 9.380e+09 0.000 2.195e+04 !7p, ax2 ! ! ic5h10oh-2o2<=>ic3h7cho+ch2o+oh 2.500e+10 0.000 2.1886e+04 ! waddington mech rate rev/ 0.000e+00 0.000 0.000e+00 / ic5h10oh-2o2<=>ic5h9oh-2ooh-4 7.500e+10 0.000 2.400e+04 !6p, ax2 ic5h10oh-2o2<=>ic5h9oh-2ooh-3 1.000e+11 0.000 2.370e+04 !5t ic5h10oh-2o2<=>ic5h9oh-2ooh-1 2.000e+11 0.000 2.445e+04 !5s, alpha -2kcal ! ic5h10oh-3o2<=>ic5h9oh-3ooh-1 2.500e+10 0.000 1.845e+04 !6s, alpha -2kcal ic5h10oh-3o2<=>tc4h8o2h-i+ch2o 2.500e+09 0.000 1.8886e+04 ! waddington mech rate 7m, reduce A, Ea -3kcal rev/ 0.000e+00 0.000 0.000e+00 / ! ic5h10oh-4o2<=>ic5h9oh-4ooh-3 1.000e+11 0.000 2.370e+04 !5t ic5h10oh-4o2<=>ic5h9oh-4ooh-2 2.500e+10 0.000 2.245e+04 !6s beta, +2kcal ic5h10oh-4o2<=>ic5h9oh-4ooh-1 3.120e+09 0.000 1.665e+04 !7s, alpha -2kcal ic5h10oh-2o2<=>ic4h8o2h-i+ch2o 2.500e+08 0.000 2.1886e+04 ! waddington mech rate 8m, reduce A same Ea rev/ 0.000e+00 0.000 0.000e+00 /! ! ! ! class 16 ro2=ho2+alkene ic5h10oh-1o2<=>ic5h9oh1-1+ho2 4.308e+36 -7.50 3.951e+04 ic5h10oh-2o2<=>ic5h9oh1-1+ho2 4.308e+36 -7.50 3.951e+04 ic5h10oh-2o2<=>ic5h9oh1-2+ho2 4.308e+36 -7.50 3.951e+04 ic5h10oh-3o2<=>ic5h9oh1-2+ho2 4.308e+36 -7.50 3.951e+04 ic5h10oh-3o2<=>ic5h9oh1-3+ho2 4.308e+36 -7.50 3.951e+04 ic5h10oh-4o2<=>ic5h9oh1-3+ho2 4.308e+36 -7.50 3.951e+04 ! !class 17 r+r<=>rooh+rh ic5h10oh-1o2 + ho2<=>ic5h10oh-1ooh + o2 1.75e+10 0 -3275 ic5h10oh-2o2 + ho2<=>ic5h10oh-2ooh + o2 1.75e+10 0 -3275 ic5h10oh-3o2 + ho2<=>ic5h10oh-3ooh + o2 1.75e+10 0 -3275 ic5h10oh-4o2 + ho2<=>ic5h10oh-4ooh + o2 1.75e+10 0 -3275 ! !class 18 ic5h10oh-1o2 + h2o2<=>ic5h10oh-1ooh + ho2 2.40e+12 0 1.00e+04 ic5h10oh-2o2 + h2o2<=>ic5h10oh-2ooh + ho2 2.40e+12 0 1.00e+04 ic5h10oh-3o2 + h2o2<=>ic5h10oh-3ooh + ho2 2.40e+12 0 1.00e+04 ic5h10oh-4o2 + h2o2<=>ic5h10oh-4ooh + ho2 2.40e+12 0 1.00e+04 ! ! class 19 ic5h10oh-1o2 + ch3o2<=>ic5h10oh-1o + ch3o + o2 1.400e+16 -1.610 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-2o2 + ch3o2<=>ic5h10oh-2o + ch3o + o2 1.400e+16 -1.610 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-3o2 + ch3o2<=>ic5h10oh-3o + ch3o + o2 1.400e+16 -1.610 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-4o2 + ch3o2<=>ic5h10oh-4o + ch3o + o2 1.400e+16 -1.610 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ! ! class 20 ic5h10oh-1o2 + ic5h10oh-1o2<=>ic5h10oh-1o + ic5h10oh-1o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-1o2 + ic5h10oh-2o2<=>ic5h10oh-1o + ic5h10oh-2o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-1o2 + ic5h10oh-3o2<=>ic5h10oh-1o + ic5h10oh-3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-1o2 + ic5h10oh-4o2<=>ic5h10oh-1o + ic5h10oh-4o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ! ic5h10oh-2o2 + ic5h10oh-2o2<=>ic5h10oh-2o + ic5h10oh-2o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-2o2 + ic5h10oh-3o2<=>ic5h10oh-2o + ic5h10oh-3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-2o2 + ic5h10oh-4o2<=>ic5h10oh-2o + ic5h10oh-4o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ! ic5h10oh-3o2 + ic5h10oh-3o2<=>ic5h10oh-3o + ic5h10oh-3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-3o2 + ic5h10oh-4o2<=>ic5h10oh-3o + ic5h10oh-4o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ! ic5h10oh-4o2 + ic5h10oh-4o2<=>ic5h10oh-4o + ic5h10oh-4o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.000e+00 0.00 0.000e+00 / ! ! ! !class 21 rooh=ro+oh ic5h10oh-1ooh<=>ic5h10oh-1o + oh 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-2ooh<=>ic5h10oh-2o + oh 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-3ooh<=>ic5h10oh-3o + oh 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5h10oh-4ooh<=>ic5h10oh-4o + oh 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ! !class 22 hocho+ic4h9<=>ic5h10oh-1o 1.00e+11 0.00 11900 ic3h7cho+ch2oh<=>ic5h10oh-2o 1.00e+11 0.00 11900 ch3coch3+pc2h4oh<=>ic5h10oh-3o 1.00e+11 0.00 11900 ch2o+c4h8oh-3<=>ic5h10oh-4o 1.00e+11 0.00 11900 ! !class 23 cyclic ether formation ic5h9oh-1ooh-3<=>ic5h9oho1-3 + oh 7.50e+10 0.00 1.53e+04 !4m ring rev / 0.00 0.00 0.00 / ic5h9oh-1ooh-4<=>ic5h9oho1-4 + oh 9.38e+09 0.00 7.00e+03 !5m ring rev / 0.00 0.00 0.00 / ! ! ic5h9oh-3ooh-1<=>ic5h9oho1-3 + oh 7.50e+10 0.00 1.53e+04 !4m ring rev / 0.00 0.00 0.00 / ! ic5h9oh-4ooh-1<=>ic5h9oho1-4 + oh 9.38e+09 0.00 7.00e+03 !5m ring rev / 0.00 0.00 0.00 / ! ! ! class 24: qooh<=>olefin + ho2 ! ic5h9oh1-1+ho2<=>ic5h9oh-1ooh-2 1.00e+11 0.00 1.19e+04 ic5h9oh1-1+ho2<=>ic5h9oh-2ooh-1 1.00e+11 0.00 1.19e+04 ic5h9oh1-2+ho2<=>ic5h9oh-2ooh-3 1.00e+11 0.00 1.19e+04 ic5h9oh1-3+ho2<=>ic5h9oh-4ooh-3 1.00e+11 0.00 1.19e+04 ! ! class 25 beta decomposition of qooh ic5h9oh-1ooh-3 <=> oh+hocho+ic4h8 1.00e+13 0.00 3.0e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5h9oh-2ooh-4 <=> oh+hoch2cho+c3h6 1.00e+13 0.00 3.0e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5h9oh-3ooh-1 <=> oh+ch3coch3+c2h3oh 1.00e+13 0.00 3.0e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5h9oh-3ooh-1 <=> ch3coch3+ch2cho+h2o 1.00e+13 0.00 2.0e+04 !rate est. for pathway from Welz 2013 JPCL rev / 0.000e+00 0.00 0.000e+00 / ic5h9oh-4ooh-2 <=> oh+ch2o+c4h7oh2-1 1.00e+13 0.00 3.0e+04 rev / 0.000e+00 0.00 0.000e+00 / ! !class 26 qooh + o2 o2qooh ic5h9oh-1ooh-2+o2<=>ic5h9oh-1ooh-2o2 7.54e+12 0.000 0.000e+00 !secondary ic5h9oh-1ooh-3+o2<=>ic5h9oh-1ooh-3o2 1.41e+13 0.000 0.000e+00 !tertiary ic5h9oh-1ooh-4+o2<=>ic5h9oh-1ooh-4o2 4.52e+12 0.000 0.000e+00 !primary ! ic5h9oh-2ooh-3+o2<=>ic5h9oh-2ooh-3o2 7.54e+12 0.000 0.000e+00 !secondary ic5h9oh-2ooh-4+o2<=>ic5h9oh-2ooh-4o2 1.41e+13 0.000 0.000e+00 !tertiary ! ic5h9oh-3ooh-1+o2<=>ic5h9oh-3ooh-1o2 1.00e+12 0.000 0.000e+00 !alpha ! ic5h9oh-4ooh-1+o2<=>ic5h9oh-4ooh-1o2 1.00e+12 0.000 0.000e+00 !alpha ic5h9oh-4ooh-2+o2<=>ic5h9oh-4ooh-2o2 7.54e+12 0.000 0.000e+00 !secondary ic5h9oh-4ooh-3+o2<=>ic5h9oh-4ooh-3o2 1.41e+13 0.000 0.000e+00 !tertiary ! !class 27 Reaction of O2 with alpha-hydroxypentylhydroperoxide radicals ! ic5h9oh-2ooh-1+o2<=>ic5ketdc+ho2 3.780e+20 -2.429 3090. PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! PLOG / 0.01 5.260E+17 -1.637 838. / ! PLOG / 0.1 5.260E+17 -1.637 838. / ! PLOG / 1.0 5.280E+17 -1.638 839. / ! PLOG / 10.0 1.540E+18 -1.771 1120. / ! PLOG / 20.0 1.027E+18 -1.771 1120. / !afactor /1.5 ! PLOG / 40.0 1.890E+20 -2.429 3090. / !afactor /2 ! PLOG / 100.0 1.890E+20 -2.429 3090. / !afactor /2 ! PLOG / 100.0 3.780E+20 -2.429 3090. / ic5h9oh-3ooh-1+o2<=>ic5ketdb+ho2 3.780e+20 -2.429 3090. PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! PLOG / 0.01 5.260E+17 -1.637 838. / ! PLOG / 0.1 5.260E+17 -1.637 838. / ! PLOG / 1.0 5.280E+17 -1.638 839. / ! PLOG / 10.0 1.540E+18 -1.771 1120. / ! PLOG / 20.0 1.027E+18 -1.771 1120. / !afactor /1.5 ! PLOG / 40.0 1.890E+20 -2.429 3090. / !afactor /2 ! PLOG / 100.0 1.890E+20 -2.429 3090. / !afactor /2 ! PLOG / 100.0 3.780E+20 -2.429 3090. / ic5h9oh-4ooh-1+o2<=>ic5ketda+ho2 3.780e+20 -2.429 3090. PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! PLOG / 0.01 5.260E+17 -1.637 838. / ! PLOG / 0.1 5.260E+17 -1.637 838. / ! PLOG / 1.0 5.280E+17 -1.638 839. / ! PLOG / 10.0 1.540E+18 -1.771 1120. / ! PLOG / 20.0 1.027E+18 -1.771 1120. / !afactor /1.5 ! PLOG / 40.0 1.890E+20 -2.429 3090. / !afactor /2 ! PLOG / 100.0 1.890E+20 -2.429 3090. / !afactor /2 ! PLOG / 100.0 3.780E+20 -2.429 3090. / !class 28 o2qooh=ketohydroperoxide+oh and other products ! ! ic5h9oh-1ooh-2o2<=>ic3h7cho+ho2cho+oh 2.500e+10 0.000 2.1886e+04 ! waddington mech rate rev/ 0.000e+00 0.000 0.000e+00 / ic5h9oh-4ooh-2o2<=>ic4ketii+ch2o+oh 2.500e+10 0.000 2.1886e+04 ! waddington mech rate rev/ 0.000e+00 0.000 0.000e+00 / ! ! ic5h9oh-1ooh-2o2<=>ic5ohket1-2+oh 1.000e+11 0.000 2.145e+04 !5s, alpha -2kcal ic5h9oh-1ooh-3o2<=>ic5ohket1-3+oh 1.250e+10 0.000 1.545e+04 !6s, alpha -2kcal ic5h9oh-1ooh-4o2<=>ic5ohket1-4+oh 3.120e+09 0.000 1.365e+04 !7s, alpha -2kcal ! ic5h9oh-2ooh-3o2<=>ic5ohket2-3+oh 1.000e+11 0.000 2.545e+04 !5s beta, +2kcal ic5h9oh-2ooh-4o2<=>ic5ohket2-4+oh 1.250e+10 0.000 1.945e+04 !6s beta, +2kcal ! ic5h9oh-3ooh-1o2<=>ac3h5ooh+c2h3ooh+oh 9.380e+09 0.000 2.195e+04 !7p, ax2, alternate route from primary rev / 0.000E+00 0.00 0.000E+00 / ! ic5h9oh-4ooh-1o2<=>ic5ohket4-1+oh 3.120e+09 0.000 1.895e+04 !7p ic5h9oh-4ooh-2o2<=>ic5ohket4-2+oh 2.500e+10 0.000 2.100e+04 !6p ic5h9oh-4ooh-3o2<=>ic5ohket4-3+oh 2.000e+11 0.000 2.600e+04 !5p ! ! !class 29 ketohydroperoxide decomposition ic5ohket1-2<=>oh+ocho+ic3h7cho 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5ohket1-3<=>oh+ch2ocho+ch3coch3 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5ohket1-4<=>oh+c3h6+ocho+ch2o 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ! ic5ohket2-3<=>oh+hoch2co+ch3coch3 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5ohket2-4<=>oh+ch3chco+ch2oh+ch2o 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ! ! ic5ohket4-1<=>oh+hocho+ch2ch2coch3 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5ohket4-2<=>oh+hoch2cho+ch3coch2 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ic5ohket4-3<=>oh+hoc2h4cho+ch3co 1.000e+16 0.00 3.900e+04 rev / 0.000e+00 0.00 0.000e+00 / ! ! ! class 30 ic5h9oho1-3 + oh <=> ic4h7 + hocho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ic5h9oho1-4 + oh <=> ic4h7 + hocho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! ic5h9oho1-3 + ho2<=> ic4h7 + hocho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ic5h9oho1-4 + ho2<=> ic4h7 + hocho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! !class 31 miscellaneous reactions ! !iso-pentanal ! ic4h9cho+o2<=>ic4h9co+ho2 1.200e+05 2.50 3.756e+04 ic4h9cho+oh<=>ic4h9co+h2o 2.000e+06 1.80 -1.300e+03 ic4h9cho+h<=>ic4h9co+h2 4.140e+09 1.12 2.320e+03 ic4h9cho+o<=>ic4h9co+oh 5.940e+12 0.00 1.868e+03 ic4h9cho+ho2<=>ic4h9co+h2o2 4.090e+04 2.50 1.020e+04 ic4h9cho+ch3<=>ic4h9co+ch4 2.890e-03 4.62 3.210e+03 ic4h9cho+ch3o<=>ic4h9co+ch3oh 1.000e+12 0.00 3.300e+03 ic4h9cho+ch3o2<=>ic4h9co+ch3o2h 4.090e+04 2.50 1.020e+04 ! ic4h9cho+oh<=>ic4h8cho-1+h2o 5.270e+09 0.97 1.586e+03 ic4h9cho+oh<=>ic4h8cho-2+h2o 4.670e+07 1.61 -3.500e+01 ic4h9cho+oh<=>ic4h8cho-3+h2o 4.670e+07 1.61 -3.500e+01 ! ic4h9cho+ho2<=>ic4h8cho-1+h2o2 2.379e+04 2.55 1.649e+04 ic4h9cho+ho2<=>ic4h8cho-2+h2o2 9.640e+03 2.60 1.391e+04 ic4h9cho+ho2<=>ic4h8cho-3+h2o2 9.640e+03 2.60 1.391e+04 ! ic4h9co<=>ic4h9+co 1.000e+11 0.00 9.600e+03 ! ch3+sc3h5cho<=>ic4h8cho-1 1.230e+11 0.00 7.800e+03 ic4h8+hco<=>ic4h8cho-2 1.000e+11 0.00 6.000e+03 c3h6+ch2cho<=>ic4h8cho-3 1.000e+11 0.00 6.000e+03 ! ! !! c5 submechanisms !cc5h10 + oh <=> ic5h9+h2o 1.000e+12 0.00 1.230e+03 !rev / 5.000e+12 0.00 2.650e+04 / !cc5h10+h <=> ic5h9+h2 1.000e+12 0.00 3.800e+03 !rev / 1.000e+12 0.00 2.500e+04 / !cc5h10+ch3 <=> ic5h9+ch4 5.000e+11 0.00 7.300e+03 !rev / 6.000e+11 0.00 2.500e+04 / !cc5h10+o <=> ic5h9 + oh 3.700e+05 2.56 -1.130e+03 !rev / 1.000e+12 0.00 2.500e+04 / !cc5h10 <=> ch3+c4h72-2 1.000e+16 0.00 7.100e+04 !rev/ 1.000e+13 0.00 0.000e+00 / ! !dc5h11 <=> c2h4+ic3h7 1.138e+15 -0.42 2.701e+04 !rev / 3.300e+11 0.00 7.200e+03 / !dc5h11 <=> cc5h10+h 2.199e+16 -0.90 3.748e+04 !rev / 1.000e+13 0.00 2.900e+03 / !dc5h11 + o2 <=> cc5h10+ho2 3.000e-19 0.00 3.000e+03 !rev / 2.000e-19 0.00 1.750e+04 / ! ! !c5h81-3+oh<=>ch2o+c4h71-3 1.000e+12 0.000 0.000e+00 !rev/ 1.000e+11 0.000 1.500e+04 / !c5h81-3+oh<=>c2h3cho+c2h5 1.000e+12 0.000 0.000e+00 !rev/ 1.000e+11 0.000 1.500e+04 / !c5h81-3+oh<=>ch3cho+c3h5-s 1.000e+12 0.000 0.000e+00 !rev/ 1.000e+11 0.000 1.500e+04 / ! ! !ic5ketda=ch2o+c3h6cho-2+oh 1.000e+16 0.000 3.900e+04 !rev/ 0.000e+00 0.000 0.000e+00 / !ic5ketdb=ch3coch3+ch2cho+oh 1.000e+16 0.000 3.900e+04 !rev/ 0.000e+00 0.000 0.000e+00 / !ic5ketdc=ic3h7cho+hco+oh 1.000e+16 0.000 3.900e+04 !rev/ 0.000e+00 0.000 0.000e+00 / ! ! ! hoch2cho + o2 = hoch2co+ho2 2.000e+13 0.50 4.220e+04 hoch2cho + oh = hoch2co+h2o 2.690e+10 0.76 -3.400e+02 hoch2cho+h = hoch2co+h2 4.000e+13 0.00 4.200e+03 hoch2cho+o = hoch2co + oh 5.000e+12 0.00 1.790e+03 hoch2cho+ho2 = hoch2co+h2o2 2.800e+12 0.00 1.360e+04 hoch2cho+ch3 = hoch2co+ch4 1.700e+12 0.00 8.440e+03 hoch2cho+ch3o = hoch2co+ch3oh 1.150e+11 0.00 1.280e+03 hoch2cho+ch3o2 = hoch2co+ch3o2h 1.000e+12 0.00 9.500e+03 hoch2co = ch2oh+co 1.000e+11 0.00 9.600e+03 ! hoc2h4cho + o2 = hoc2h4co+ho2 2.000e+13 0.50 4.220e+04 hoc2h4cho + oh = hoc2h4co+h2o 2.690e+10 0.76 -3.400e+02 hoc2h4cho+h = hoc2h4co+h2 4.000e+13 0.00 4.200e+03 hoc2h4cho+o = hoc2h4co + oh 5.000e+12 0.00 1.790e+03 hoc2h4cho+ho2 = hoc2h4co+h2o2 2.800e+12 0.00 1.360e+04 hoc2h4cho+ch3 = hoc2h4co+ch4 1.700e+12 0.00 8.440e+03 hoc2h4cho+ch3o = hoc2h4co+ch3oh 1.150e+11 0.00 1.280e+03 hoc2h4cho+ch3o2 = hoc2h4co+ch3o2h 1.000e+12 0.00 9.500e+03 hoc2h4co = pc2h4oh+co 1.000e+11 0.00 9.600e+03 ! hoc3h6co=c3h6oh-3+co 1.000e+11 0.00 9.600e+03 ! !********** propanol radical reactions********* c3h6oh-3<=>c2h4+ch2oh 4.231e+10 1.035 2.817e+04 !butanol c4h8oh-3<=>c3h6+ch2oh c3h6oh-3<=>h+c3h5oh 1.432e+12 0.225 3.634e+04 !butanol c4h8oh-2<=>h+c4h7oh2-1 c3h6oh-3<=>nc3h7o 5.32e-10 6.204 6.710e+03 !5m ! ! !****************************************************************** !********* 2-methylbutanol mechanism******************************* !****************************************************************** ! ! ***************class 1 unimol decomposition ***************************** c5h11oh-2<=>sc4h9+ch2oh 4.460e+27 -11.19 5.2044e+04 ! Zhou et al PROCI 2013 PLOG / 0.0013 2.04E+101 -25.18 120782.3 / ! ax5 PLOG / 0.0132 7.75E+97 -23.84 122240.9 / ! ax5 PLOG / 0.1316 3.03E+88 -20.84 119681.4 / ! ax5 PLOG / 1.0 7.20E+74 -16.73 113491.2 / ! ax5 PLOG / 10.0 1.09E+56 -11.19 103422.1 / ! ax5 PLOG / 100.0 5.35E+39 -6.45 94008.7 / ! ax5 ! c5h11oh-2<=>ch3+c4h8oh-2 3.865e+28 -12.40 5.5684e+04 ! Zhou et al PROCI 2013 PLOG / 0.0013 1.99E+101 -25.67 124238.0 / ! a/2 PLOG / 0.0132 6.25E+99 -24.82 127202.9 / ! a/2 PLOG / 0.1316 1.09E+92 -22.23 126199.4 / ! a/2 PLOG / 1.0 9.04E+78 -18.23 120824.0 / ! a/2 PLOG / 10.0 1.85E+59 -12.40 110655.5 / ! a/2 PLOG / 100.0 8.75E+40 -7.06 100224.6 / ! a/2 ! c5h11oh-2(+m)<=>c2h5+c3h6oh-2(+m) 1.728e+26 -2.720 8.6207e+04 ! sc4h9oh=c2h5+sc2h4oh low /1.6771e+89 -20.364 9.9453e+04 / troe / 5.5845e-03 3.5820e+02 4.9325e+07 2.4761e+03 / ! c5h11oh-2(+m)<=>ch3+ic4h8oh-3(+m) 3.790e+24 -2.230 8.807e+04 ! nc4h9oh=ch3+c3h6oh low /1.7820e+60 -1.2280e+01 8.3980e+04 / troe / 2.3520e-01 7.2400e+02 5.0000e+09 5.0000e+09 / ! c5h11oh-2(+m)<=>oh+ac5h11(+m) 1.400e+021 -1.481 9.4894e+04 ! ic4h9oh=ic4h9+oh low /2.0872e+055 -11.191 9.0431e+04 / troe /5.4471e-04 1.1254e+03 1.6818e+10 3.6352e+03 / ! c5h11oh-2(+m)<=>ac5h10+h2o(+m) 4.5600e+013 0.000 6.4970e+04 ! ic4h9oh=ic4h8+h2o low /6.0967e+101 -23.781 1.0672e+05 / troe /2.0182e-01 1.2864e+03 1.2824e+03 6.7921e+04 / ! c5h11oh-2(+m)<=>h+c5h11o (+m) 6.040e+14 0.100 1.038e+05 ! nc4h9oh=h+pc4h9o !rev/ 9.943e+13 0.004 -1.050e+03 / low /2.4080e+39 -7.0300e+00 9.5960e+04 / troe / 3.8650e-01 5.6491e+02 4.4380e+09 6.7100e+09 / ! ! !********************** unimolecular decomposition of h atoms *********************** h+c5h10oh-2a<=>c5h11oh-2 4.00e+13 0.0 0.000 h+c5h10oh-2b<=>c5h11oh-2 4.00e+13 0.0 0.000 h+c5h10oh-2c<=>c5h11oh-2 4.00e+13 0.0 0.000 h+c5h10oh-2d<=>c5h11oh-2 4.00e+13 0.0 0.000 h+c5h10oh-2e<=>c5h11oh-2 4.00e+13 0.0 0.000 ! !*************************h-abstraction********************************************* !**** h ***** c5h11oh-2+h<=>c5h10oh-2e+h2 6.660e+05 2.54 6.756e+03 c5h11oh-2+h<=>c5h10oh-2d+h2 6.660e+05 2.54 6.756e+03 c5h11oh-2+h<=>c5h10oh-2c+h2 1.300e+06 2.40 4.471e+03 c5h11oh-2+h<=>c5h10oh-2b+h2 6.500e+05 2.40 4.471e+03 c5h11oh-2+h<=>c5h10oh-2a+h2 8.789e+04 2.68 2.915e+03 c5h11oh-2+h<=>c5h11o +h2 9.450e+02 3.14 8.701e+03 !***** oh ****** c5h11oh-2+oh<=>c5h10oh-2e+h2o 5.280e+09 0.97 1.586e+03 c5h11oh-2+oh<=>c5h10oh-2d+h2o 5.280e+09 0.97 1.586e+03 c5h11oh-2+oh<=>c5h10oh-2c+h2o 1.141e+03 2.87 -2.926e+03 c5h11oh-2+oh<=>c5h10oh-2b+h2o 0.770e+00 3.70 -4.940e+03 c5h11oh-2+oh<=>c5h10oh-2a+h2o 3.610e+03 2.89 -2.331e+03 c5h11oh-2+oh<=>c5h11o +h2o 5.880e+02 2.82 -5.850e+02 !****** o ******* c5h11oh-2+o<=>c5h10oh-2e+oh 9.810e+05 2.43 4.750e+03 c5h11oh-2+o<=>c5h10oh-2d+oh 9.810e+05 2.43 4.750e+03 c5h11oh-2+o<=>c5h10oh-2c+oh 5.520e+05 2.45 2.830e+03 c5h11oh-2+o<=>c5h10oh-2b+oh 2.760e+05 2.45 2.830e+03 c5h11oh-2+o<=>c5h10oh-2a+oh 7.250e+04 2.47 8.760e+02 c5h11oh-2+o<=>c5h11o +oh 1.460e-03 4.73 1.727e+03 !******* o2 ******** c5h11oh-2+o2<=>ho2+c5h10oh-2e 3.000e+13 0.00 5.234e+04 c5h11oh-2+o2<=>ho2+c5h10oh-2d 3.000e+13 0.00 5.234e+04 c5h11oh-2+o2<=>ho2+c5h10oh-2c 2.000e+13 0.00 4.980e+04 c5h11oh-2+o2<=>ho2+c5h10oh-2b 2.000e+13 0.00 4.820e+04 c5h11oh-2+o2<=>ho2+c5h10oh-2a 2.000e+13 0.00 4.680e+04 c5h11oh-2+o2<=>ho2+c5h11o 1.000e+13 0.00 5.634e+04 !******* ho2 ******** c5h11oh-2+ho2<=>c5h10oh-2e+h2o2 8.800e-02 4.31 1.727e+04 c5h11oh-2+ho2<=>c5h10oh-2d+h2o2 8.800e-02 4.31 1.727e+04 c5h11oh-2+ho2<=>c5h10oh-2c+h2o2 2.760e-04 4.76 1.185e+04 c5h11oh-2+ho2<=>c5h10oh-2b+h2o2 3.760e-03 4.52 1.171e+04 !c5h11oh-2+ho2<=>c5h10oh-2a+h2o2 3.500e-05 5.26 8.668e+03 c5h11oh-2+ho2<=>c5h10oh-2a+h2o2 3.500e-05 5.26 8.268e+03 c5h11oh-2+ho2<=>c5h11o +h2o2 6.470e-07 5.30 1.053e+04 !******* ch3 ******* c5h11oh-2+ch3<=>c5h10oh-2e+ch4 4.530e-01 3.65 7.154e+03 c5h11oh-2+ch3<=>c5h10oh-2d+ch4 4.530e-01 3.65 7.154e+03 c5h11oh-2+ch3<=>c5h10oh-2c+ch4 1.510e+00 3.46 5.481e+03 c5h11oh-2+ch3<=>c5h10oh-2b+ch4 7.550e-01 3.46 5.481e+03 c5h11oh-2+ch3<=>c5h10oh-2a+ch4 1.993e+01 3.37 7.634e+03 c5h11oh-2+ch3<=>c5h11o +ch4 1.020e+00 3.57 8.221e+03 !******* hco *********** c5h11oh-2+hco<=>c5h10oh-2e+ch2o 1.020e+05 2.50 1.844e+04 c5h11oh-2+hco<=>c5h10oh-2d+ch2o 1.020e+05 2.50 1.844e+04 c5h11oh-2+hco<=>c5h10oh-2c+ch2o 1.090e+07 1.90 1.701e+04 c5h11oh-2+hco<=>c5h10oh-2b+ch2o 5.450e+06 1.90 1.701e+04 c5h11oh-2+hco<=>c5h10oh-2a+ch2o 1.000e+07 1.90 1.700e+04 c5h11oh-2+hco<=>c5h11o +ch2o 3.400e+04 2.50 1.350e+04 !********* ch2oh ******** c5h11oh-2+ch2oh<=>c5h10oh-2e+ch3oh 1.010e+02 2.95 1.397e+04 c5h11oh-2+ch2oh<=>c5h10oh-2d+ch3oh 1.010e+02 2.95 1.397e+04 c5h11oh-2+ch2oh<=>c5h10oh-2c+ch3oh 6.020e+01 2.95 1.198e+04 c5h11oh-2+ch2oh<=>c5h10oh-2b+ch3oh 3.010e+01 2.95 1.198e+04 c5h11oh-2+ch2oh<=>c5h10oh-2a+ch3oh 6.000e+01 2.95 1.200e+04 c5h11oh-2+ch2oh<=>c5h11o +ch3oh 1.200e+02 2.76 1.080e+04 !******** ch3o ********** c5h11oh-2+ch3o<=>c5h10oh-2e+ch3oh 2.170e+11 0.00 6.458e+03 c5h11oh-2+ch3o<=>c5h10oh-2d+ch3oh 2.170e+11 0.00 6.458e+03 c5h11oh-2+ch3o<=>c5h10oh-2c+ch3oh 1.450e+11 0.00 4.571e+03 c5h11oh-2+ch3o<=>c5h10oh-2b+ch3oh 7.250e+10 0.00 4.571e+03 c5h11oh-2+ch3o<=>c5h10oh-2a+ch3oh 7.500e+10 0.00 4.500e+03 c5h11oh-2+ch3o<=>c5h11o +ch3oh 2.300e+10 0.00 2.900e+03 !******* ch3o2 ******** c5h11oh-2+ch3o2<=>c5h10oh-2e+ch3o2h 2.380e+04 2.55 1.649e+04 c5h11oh-2+ch3o2<=>c5h10oh-2d+ch3o2h 2.380e+04 2.55 1.649e+04 c5h11oh-2+ch3o2<=>c5h10oh-2c+ch3o2h 9.640e+03 2.60 1.391e+04 c5h11oh-2+ch3o2<=>c5h10oh-2b+ch3o2h 4.820e+02 2.60 1.391e+04 c5h11oh-2+ch3o2<=>c5h10oh-2a+ch3o2h 1.500e+12 0.00 1.750e+04 c5h11oh-2+ch3o2<=>c5h11o +ch3o2h 1.500e+12 0.00 1.500e+04 !******** c2h5 ******** c5h11oh-2+c2h5<=>c5h10oh-2e+c2h6 5.010e+10 0.00 1.340e+04 c5h11oh-2+c2h5<=>c5h10oh-2d+c2h6 5.010e+10 0.00 1.340e+04 c5h11oh-2+c2h5<=>c5h10oh-2c+c2h6 5.010e+10 0.00 1.040e+03 c5h11oh-2+c2h5<=>c5h10oh-2b+c2h6 1.010e+11 0.00 7.900e+03 c5h11oh-2+c2h5<=>c5h10oh-2a+c2h6 2.010e+11 0.00 7.900e+03 c5h11oh-2+c2h5<=>c5h11o +c2h6 1.670e10 0.00 1.340e+04 ! !********************** isomerization reactions ********************************************************** ! c5h11o <=>c5h10oh-2e 5.32e-10 6.204 6.710e+03 !5m c5h11o <=>c5h10oh-2d 1.32e-01 3.632 2.689e+03 !6m c5h11o <=>c5h10oh-2c 5.32e-10 6.204 6.710e+03 !5m ! c5h10oh-2d<=>c5h10oh-2a 3.30e-19 8.638 5.268e+03 !5m ! !**** class 3 beta scission rxns ! !c5h10oh-2a c2h5+ch3chchoh<=>c5h10oh-2a 8.80e+03 2.48 6.13e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 nc4h9cho-2+h<=>c5h10oh-2a 8.00e+12 0.00 9.50e+03 !ref:analogy with ch3choh --> ch3cho + h. natarajan & bhaskaran symp. intl. shock 13 ch3+c4h7oh1-1<=>c5h10oh-2a 1.89e+03 2.67 6.85e+03 !ref henry ch3 addition to c3h6 to produce ic4h9 h+c5h9oh21-1<=>c5h10oh-2a 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c5h10oh-2b ch3+ic3h5ch2oh<=>c5h10oh-2b 8.80e+03 2.48 6.13e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 ac5h10+oh<=>c5h10oh-2b 9.93e+11 0.00 -9.60e+02 !ref black oh addition to 1c4h8 h+c5h9oh21-1<=>c5h10oh-2b 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 h+c5h9oh21-4<=>c5h10oh-2b 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 h+c5h9oh21-2<=>c5h10oh-2b 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c5h10oh-2c ch3+c4h7oh2-1<=>c5h10oh-2c 8.80e+03 2.48 6.13e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 ch2oh+c4h8-2<=>c5h10oh-2c 8.80e+03 2.48 6.13e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 h+c5h9oh21-2<=>c5h10oh-2c 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 h+c5h9oh21-3<=>c5h10oh-2c 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c5h10oh-2d c2h4+c3h6oh-2<=>c5h10oh-2d 8.80e+03 2.48 6.13e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 h+c5h9oh21-3<=>c5h10oh-2d 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c5h10oh-2e c2h5+c3h5oh<=>c5h10oh-2e 8.80e+03 2.48 6.13e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 ch2oh+c4h8-1<=>c5h10oh-2e 1.89e+03 2.67 6.85e+03 !ref henry ch3 addition to c3h6 to produce ic4h9 h+c5h9oh21-4<=>c5h10oh-2e 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c5h11o h+nc4h9cho-2<=>c5h11o 1.000e+12 0.00 5.860e+03 sc4h9+ch2o<=>c5h11o 5.000e+10 0.00 3.457e+03 ! ! !********************* pentenol chemistry *********************************************** ! !**** class 5 h-abstraction from enols*** ! c5h9oh21-1+h<=>c5h8oh2-13+h2 3.376e+05 2.360 2.070e+02 c5h9oh21-1+o<=>c5h8oh2-13+oh 9.900e+05 2.430 1.210e+03 c5h9oh21-1+oh<=>c5h8oh2-13+h2o 2.764e+04 2.640 -1.919e+03 c5h9oh21-1+ch3<=>c5h8oh2-13+ch4 3.690e+00 3.310 4.002e+03 c5h9oh21-1+ho2<=>c5h8oh2-13+h2o2 4.820e+03 2.550 1.053e+04 c5h9oh21-1+ch3o2<=>c5h8oh2-13+ch3o2h 4.820e+03 2.550 1.053e+04 c5h9oh21-1+ch3o<=>c5h8oh2-13+ch3oh 4.000e+01 2.900 8.609e+03 c5h9oh21-1+o2<=>c5h8oh2-13+ho2 2.200e+12 0.000 3.722e+04 ! c5h9oh21-2+h<=>c5h8oh2-13+h2 3.376e+05 2.360 2.070e+02 c5h9oh21-2+o<=>c5h8oh2-13+oh 9.900e+05 2.430 1.210e+03 c5h9oh21-2+oh<=>c5h8oh2-13+h2o 2.764e+04 2.640 -1.919e+03 c5h9oh21-2+ch3<=>c5h8oh2-13+ch4 3.690e+00 3.310 4.002e+03 c5h9oh21-2+ho2<=>c5h8oh2-13+h2o2 4.820e+03 2.550 1.053e+04 c5h9oh21-2+ch3o2<=>c5h8oh2-13+ch3o2h 4.820e+03 2.550 1.053e+04 c5h9oh21-2+ch3o<=>c5h8oh2-13+ch3oh 4.000e+01 2.900 8.609e+03 c5h9oh21-2+o2<=>c5h8oh2-13+ho2 2.200e+12 0.000 3.722e+04 ! c5h9oh21-3+h<=>c5h8oh2-13+h2 3.376e+05 2.360 2.070e+02 c5h9oh21-3+o<=>c5h8oh2-13+oh 6.600e+05 2.430 1.210e+03 c5h9oh21-3+oh<=>c5h8oh2-13+h2o 2.764e+04 2.640 -1.919e+03 c5h9oh21-3+ch3<=>c5h8oh2-13+ch4 3.690e+00 3.310 4.002e+03 c5h9oh21-3+ho2<=>c5h8oh2-13+h2o2 4.820e+03 2.550 1.053e+04 c5h9oh21-3+ch3o2<=>c5h8oh2-13+ch3o2h 4.820e+03 2.550 1.053e+04 c5h9oh21-3+ch3o<=>c5h8oh2-13+ch3oh 4.000e+01 2.900 8.609e+03 c5h9oh21-3+o2<=>c5h8oh2-13+ho2 2.200e+12 0.000 3.722e+04 ! c5h9oh21-4+h<=>c5h8oh2-13+h2 1.730e+05 2.500 2.492e+03 c5h9oh21-4+o<=>c5h8oh2-13+oh 1.750e+11 0.700 5.884e+03 c5h9oh21-4+oh<=>c5h8oh2-13+h2o 3.120e+06 2.000 -2.980e+02 c5h9oh21-4+ch3<=>c5h8oh2-13+ch4 2.210e+00 3.500 5.675e+03 c5h9oh21-4+ho2<=>c5h8oh2-13+h2o2 2.700e+04 0.700 5.884e+03 c5h9oh21-4+ch3o2<=>c5h8oh2-13+ch3o2h 2.700e+04 0.700 5.884e+03 c5h9oh21-4+ch3o<=>c5h8oh2-13+ch3oh 4.000e+01 2.900 8.609e+03 c5h9oh21-4+o2<=>c5h8oh2-13+ho2 2.000e+13 0.000 3.719e+04 ! ! !**** class 6 keto-enol isomerizations *** c5h9oh21-1+ho2<=>nc4h9cho-2+ho2 1.490e+05 1.67 6.810e+03 ! ! formic acid catalyzed keto-enol isomerization c5h9oh21-1+hocho<=>nc4h9cho-2+hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ! ! h-catalyzed keto-enol isomerization (rmg rates for low p flame simulations) !c5h9oh21-1+h(+m)=nc4h9cho-2+h(+m) 1.0e0 0.0 0.0 ! !tcheb / 290.0 3000.0 / pcheb / 0.009869232667160128 98.69232667160128 / !cheb / 5 3 / !cheb / 1.1686000e+01 -8.9255000e-01 -1.8968000e-01 / !cheb / 1.0258000e+00 8.8111000e-01 1.1329000e-01 / !cheb / -1.0827000e-01 1.5423000e-01 1.0637000e-01 / !cheb / -1.1460000e-01 -6.6920000e-02 1.3608000e-02 / !cheb / -4.7884000e-02 -6.4850000e-02 -2.4835000e-02 / ! ! tautomerization of pentenol to iso-pentanal ! c5h9oh21-1<=>nc4h9cho-2 8.59e+11 0.318 5.59e+04 ! ! !**** class 7 h addition to pentenols****** ! c5h9oh21-1+h<=>ac5h10+oh 6.26e+13 0.00 4.500e+03 c5h9oh21-1+h<=>c2h5+ch3chchoh 6.26e+13 0.00 4.500e+03 ! c5h9oh21-4+h<=>ac5h10+oh 6.26e+13 0.00 4.500e+03 c5h9oh21-4+h<=>c4h8-1+ch2oh 6.26e+13 0.00 4.500e+03 ! c5h9oh21-3+h<=>c2h4+c3h6oh-2 6.26e+13 0.00 4.500e+03 c5h9oh21-3+h<=>c4h8-2+ch2oh 6.26e+13 0.00 4.500e+03 ! c5h9oh21-2+h<=>ac5h10+oh 6.26e+13 0.00 4.500e+03 c5h9oh21-2+h<=>c4h8-2+ch2oh 6.26e+13 0.00 4.500e+03 ! !**** class 8 beta-scission of pentenol radicals ****** ! c5h8oh2-13<=>c5h7oh-13+h 7.722e+12 0.488 4.394e+04 ! ! !**** class 9 decomposition of enols *** ! ! c5h9oh21-1<=>c2h5+ch3chcho 2.214e+22 -1.576 9.752e+04 c5h9oh21-2<=>c4h72-2+ch2oh 6.644e+19 -1.132 7.459e+04 c5h9oh21-3<=>c2h3+c3h6oh-2 6.644e+19 -1.132 7.459e+04 c5h9oh21-4<=>c4h71-2+ch2oh 6.644e+19 -1.132 7.459e+04 ! ! reactions of di-pentenol c5h7oh-13<=>c2h3+ch3chcho 2.816e+24 -2.381 9.013e+04 ! !**** class 10 1-hydroxypentyl + o2 reactions from 2-methylbutanol c5h10oh-2a+o2<=>nc4h9cho-2+ho2 3.780e+20 -2.429 3090. !da silva ch3choh+o2<=>ch3cho+ho2 PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! !----------------------------------------------------------------------------- ! 2-methylbutanol Low-Temperature Mechanism ! ! class 11 r+o2 ! c5h10oh-2a+o2<=>c5h10oh2-ao2 1.00e+12 0.000 0.000e+00 !alpha c5h10oh-2b+o2<=>c5h10oh2-bo2 1.41e+13 0.000 0.000e+00 !tertiary c5h10oh-2c+o2<=>c5h10oh2-co2 7.54e+12 0.000 0.000e+00 !secondary c5h10oh-2d+o2<=>c5h10oh2-do2 4.52e+12 0.000 0.000e+00 !primary c5h10oh-2e+o2<=>c5h10oh2-eo2 4.52e+12 0.000 0.000e+00 !primary ! ! class 12 r + ro2 <=> ro + ro ! c5h10oh-2a+c5h10oh2-ao2<=>c5h10oh2-ao+c5h10oh2-ao 7.000e+12 0.00 -1.000e+03 c5h10oh-2a+c5h10oh2-bo2<=>c5h10oh2-ao+c5h10oh2-bo 7.000e+12 0.00 -1.000e+03 c5h10oh-2a+c5h10oh2-co2<=>c5h10oh2-ao+c5h10oh2-co 7.000e+12 0.00 -1.000e+03 c5h10oh-2a+c5h10oh2-do2<=>c5h10oh2-ao+c5h10oh2-do 7.000e+12 0.00 -1.000e+03 ! c5h10oh-2b+c5h10oh2-ao2<=>c5h10oh2-bo+c5h10oh2-ao 7.000e+12 0.00 -1.000e+03 c5h10oh-2b+c5h10oh2-bo2<=>c5h10oh2-bo+c5h10oh2-bo 7.000e+12 0.00 -1.000e+03 c5h10oh-2b+c5h10oh2-co2<=>c5h10oh2-bo+c5h10oh2-co 7.000e+12 0.00 -1.000e+03 c5h10oh-2b+c5h10oh2-do2<=>c5h10oh2-bo+c5h10oh2-do 7.000e+12 0.00 -1.000e+03 ! c5h10oh-2c+c5h10oh2-ao2<=>c5h10oh2-co+c5h10oh2-ao 7.000e+12 0.00 -1.000e+03 c5h10oh-2c+c5h10oh2-bo2<=>c5h10oh2-co+c5h10oh2-bo 7.000e+12 0.00 -1.000e+03 c5h10oh-2c+c5h10oh2-co2<=>c5h10oh2-co+c5h10oh2-co 7.000e+12 0.00 -1.000e+03 c5h10oh-2c+c5h10oh2-do2<=>c5h10oh2-co+c5h10oh2-do 7.000e+12 0.00 -1.000e+03 ! c5h10oh-2d+c5h10oh2-ao2<=>c5h10oh2-do+c5h10oh2-ao 7.000e+12 0.00 -1.000e+03 c5h10oh-2d+c5h10oh2-bo2<=>c5h10oh2-do+c5h10oh2-bo 7.000e+12 0.00 -1.000e+03 c5h10oh-2d+c5h10oh2-co2<=>c5h10oh2-do+c5h10oh2-co 7.000e+12 0.00 -1.000e+03 c5h10oh-2d+c5h10oh2-do2<=>c5h10oh2-do+c5h10oh2-do 7.000e+12 0.00 -1.000e+03 ! ! ! class 13 r + ho2<=>ro + oh ! c5h10oh-2a+ho2<=>c5h10oh2-ao+oh 7.000e+12 0.00 -1.000e+03 c5h10oh-2b+ho2<=>c5h10oh2-bo+oh 7.000e+12 0.00 -1.000e+03 c5h10oh-2c+ho2<=>c5h10oh2-co+oh 7.000e+12 0.00 -1.000e+03 c5h10oh-2d+ho2<=>c5h10oh2-do+oh 7.000e+12 0.00 -1.000e+03 ! ! class 14 r + ch3o2<=>ro + ch3o ! c5h10oh-2a+ch3o2<=>c5h10oh2-ao+ch3o 7.000e+12 0.00 -1.000e+03 c5h10oh-2b+ch3o2<=>c5h10oh2-bo+ch3o 7.000e+12 0.00 -1.000e+03 c5h10oh-2c+ch3o2<=>c5h10oh2-co+ch3o 7.000e+12 0.00 -1.000e+03 c5h10oh-2d+ch3o2<=>c5h10oh2-do+ch3o 7.000e+12 0.00 -1.000e+03 ! ! class 15 ro2<=>qooh isomerization ! c5h10oh2-ao2<=>c5h9oh2-aooh-b 1.000e+11 0.000 2.370e+04 !5t c5h10oh2-ao2<=>c5h9oh2-aooh-c 2.500e+10 0.000 2.045e+04 !6s c5h10oh2-ao2<=>c5h9oh2-aooh-d 4.688e+09 0.000 2.195e+04 !7p c5h10oh2-ao2<=>c5h9oh2-aooh-e 3.750e+10 0.000 2.400e+04 !6p ! c5h10oh2-bo2<=>c5h9oh2-booh-a 2.000e+11 0.000 2.445e+04 !5s,alpha -2kcal c5h10oh2-bo2<=>c5h9oh2-booh-c 2.000e+11 0.000 2.645e+04 !5s c5h10oh2-bo2<=>c5h9oh2-booh-d 3.750e+10 0.000 2.400e+04 !6p c5h10oh2-bo2<=>c5h9oh2-booh-e 3.000e+11 0.000 2.900e+04 !5p c5h10oh2-bo2<=>c2h5coch3+ch2o+oh 2.500e+10 0.000 2.1886e+04 !waddington mech rate rev/ 0.000e+00 0.000 0.000e+00 / ! c5h10oh2-co2<=>c5h9oh2-cooh-a 2.500e+10 0.000 1.845e+04 !6s,alpha -2kcal c5h10oh2-co2<=>c5h9oh2-cooh-b 1.000e+11 0.000 2.370e+04 !5t ! c5h10oh2-do2<=>c5h9oh2-dooh-a 3.120e+09 0.000 1.665e+04 !7s,alpha -2kcal c5h10oh2-do2<=>c5h9oh2-dooh-b 1.250e+10 0.000 1.870e+04 !6t c5h10oh2-do2<=>c5h9oh2-dooh-c 2.000e+11 0.000 2.645e+04 !5s c5h10oh2-do2<=>c4h8ooh1-3+ch2o 2.500e+08 0.000 2.1886e+04 !waddington mech rate 8m, reduce A rev/ 0.000e+00 0.000 0.000e+00 / ! c5h10oh2-eo2<=>c5h9oh2-eooh-a 2.500e+10 0.000 1.845e+04 !6s,alpha -2kcal c5h10oh2-eo2<=>c5h9oh2-eooh-b 1.000e+11 0.000 2.370e+04 !5t c5h10oh2-eo2<=>c5h9oh2-eooh-c 2.500e+10 0.000 2.045e+04 !6s ! ! class 16 ro2=ho2+alkene ! c5h10oh2-ao2<=>c5h9oh21-1+ho2 4.308e+36 -7.50 3.951e+04 c5h10oh2-bo2<=>c5h9oh21-1+ho2 4.308e+36 -7.50 3.951e+04 c5h10oh2-bo2<=>c5h9oh21-2+ho2 4.308e+36 -7.50 3.951e+04 c5h10oh2-bo2<=>c5h9oh21-4+ho2 4.308e+36 -7.50 3.951e+04 c5h10oh2-co2<=>c5h9oh21-2+ho2 4.308e+36 -7.50 3.951e+04 c5h10oh2-co2<=>c5h9oh21-3+ho2 4.308e+36 -7.50 3.951e+04 c5h10oh2-do2<=>c5h9oh21-3+ho2 4.308e+36 -7.50 3.951e+04 c5h10oh2-eo2<=>c5h9oh21-4+ho2 4.308e+36 -7.50 3.951e+04 ! ! class 17 ro2+ho2<=>rooh+o2 ! c5h10oh2-ao2+ho2<=>c5h10oh2-aooh+o2 1.75e+10 0.0 -3275 c5h10oh2-bo2+ho2<=>c5h10oh2-booh+o2 1.75e+10 0.0 -3275 c5h10oh2-co2+ho2<=>c5h10oh2-cooh+o2 1.75e+10 0.0 -3275 c5h10oh2-do2+ho2<=>c5h10oh2-dooh+o2 1.75e+10 0.0 -3275 ! ! class 18 ro2+h2o2<=>rooh+ho2 ! c5h10oh2-ao2+h2o2<=>c5h10oh2-aooh+ho2 2.40e+12 0.0 1.00e+04 c5h10oh2-bo2+h2o2<=>c5h10oh2-booh+ho2 2.40e+12 0.0 1.00e+04 c5h10oh2-co2+h2o2<=>c5h10oh2-cooh+ho2 2.40e+12 0.0 1.00e+04 c5h10oh2-do2+h2o2<=>c5h10oh2-dooh+ho2 2.40e+12 0.0 1.00e+04 ! ! class 19 ro2+ch3o2<=>ro+ch3o+o2 ! c5h10oh2-ao2+ch3o2<=>c5h10oh2-ao+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-bo2+ch3o2<=>c5h10oh2-bo+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-co2+ch3o2<=>c5h10oh2-co+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-do2+ch3o2<=>c5h10oh2-do+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ! ! class 20 roo+r'oo<=>ro+r'o+o2 ! c5h10oh2-ao2+c5h10oh2-ao2<=>c5h10oh2-ao+c5h10oh2-ao+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-ao2+c5h10oh2-bo2<=>c5h10oh2-ao+c5h10oh2-bo+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-ao2+c5h10oh2-co2<=>c5h10oh2-ao+c5h10oh2-co+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-ao2+c5h10oh2-do2<=>c5h10oh2-ao+c5h10oh2-do+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ! c5h10oh2-bo2+c5h10oh2-bo2<=>c5h10oh2-bo+c5h10oh2-bo+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-bo2+c5h10oh2-co2<=>c5h10oh2-bo+c5h10oh2-co+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-bo2+c5h10oh2-do2<=>c5h10oh2-bo+c5h10oh2-do+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ! c5h10oh2-co2+c5h10oh2-co2<=>c5h10oh2-co+c5h10oh2-co+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-co2+c5h10oh2-do2<=>c5h10oh2-co+c5h10oh2-do+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ! c5h10oh2-do2+c5h10oh2-do2<=>c5h10oh2-do+c5h10oh2-do+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ! ! ! class 21 rooh=ro+oh ! c5h10oh2-aooh<=>c5h10oh2-ao+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-booh<=>c5h10oh2-bo+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-cooh<=>c5h10oh2-co+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh2-dooh<=>c5h10oh2-do+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ! ! class 22 hocho+sc4h9<=>c5h10oh2-ao 1.00e+11 0.00 11900 c2h5coch3+ch2oh<=>c5h10oh2-bo 1.00e+11 0.00 11900 ch3cho+c3h6oh-2<=>c5h10oh2-co 1.00e+11 0.00 11900 ch2o+ic4h8oh-3<=>c5h10oh2-do 1.00e+11 0.00 11900 ! ! class 23 cyclic ether formation ! c5h9oh2-aooh-c<=>c5h9oho2a-c+oh 7.50e+10 0.00 1.53e+04 !4m ring rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-aooh-d<=>c5h9oho2a-d+oh 9.38e+09 0.00 7.00e+03 !5m ring rev/ 0.000e+00 0.000 0.000e+00 / ! c5h9oh2-booh-d<=>c5h9oho2b-d+oh 7.50e+10 0.00 1.53e+04 !4m ring rev/ 0.000e+00 0.000 0.000e+00 / ! c5h9oh2-cooh-a<=>c5h9oho2a-c+oh 7.50e+10 0.00 1.53e+04 !4m ring rev/ 0.000e+00 0.000 0.000e+00 / ! c5h9oh2-dooh-a<=>c5h9oho2a-d+oh 9.38e+09 0.00 7.00e+03 !5m ring rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-dooh-b<=>c5h9oho2b-d+oh 7.50e+10 0.00 1.53e+04 !4m ring rev/ 0.000e+00 0.000 0.000e+00 / ! ! ! class 24 qooh<=>olefin+ho2 ! c5h9oh21-1+ho2<=>c5h9oh2-aooh-b 1.00e+11 0.00 1.19e+04 c5h9oh21-1+ho2<=>c5h9oh2-booh-a 1.00e+11 0.00 1.19e+04 c5h9oh21-2+ho2<=>c5h9oh2-booh-c 1.00e+11 0.00 1.19e+04 c5h9oh21-2+ho2<=>c5h9oh2-cooh-b 1.00e+11 0.00 1.19e+04 c5h9oh21-3+ho2<=>c5h9oh2-dooh-c 1.00e+11 0.00 1.19e+04 c5h9oh21-4+ho2<=>c5h9oh2-booh-e 1.00e+11 0.00 1.19e+04 c5h9oh21-4+ho2<=>c5h9oh2-eooh-b 1.00e+11 0.00 1.19e+04 ! ! class 25 beta decomposition of qooh ! c5h9oh2-aooh-c<=>oh+hocho+c4h8-2 1.00e+13 0.00 3.0e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-aooh-e<=>oh+hocho+c4h8-1 1.00e+13 0.00 3.0e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-booh-d<=>oh+hoc2h4cho+c2h4 1.00e+13 0.00 3.0e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-cooh-a<=>oh+ch3cho+ch3chchoh 1.00e+13 0.00 3.0e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-cooh-a<=>ch3cho+ch3chcho+h2o 1.00e+13 0.00 2.0e+04 ! rate est. h2o eli. from Welz 2013 JPCL rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-dooh-b<=>oh+ch2o+ic3h5ch2oh 1.00e+13 0.00 3.0e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-eooh-a<=>oh+ch2o+c4h7oh1-1 1.00e+13 0.00 3.0e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-eooh-c<=>oh+ch2o+c4h7oh2-1 1.00e+13 0.00 3.0e+04 rev/ 0.000e+00 0.000 0.000e+00 / ! ! class 26 qooh+o2<=>o2qooh ! c5h9oh2-aooh-b+o2<=>c5h9oh2-aooh-bo2 1.41e+13 0.000 0.000e+00 !tertiary c5h9oh2-aooh-c+o2<=>c5h9oh2-aooh-co2 7.54e+12 0.000 0.000e+00 !secondary c5h9oh2-aooh-d+o2<=>c5h9oh2-aooh-do2 4.52e+12 0.000 0.000e+00 !primary c5h9oh2-aooh-e+o2<=>c5h9oh2-aooh-eo2 4.52e+12 0.000 0.000e+00 !primary ! c5h9oh2-booh-a+o2<=>c5h9oh2-booh-ao2 1.00e+12 0.000 0.000e+00 !alpha c5h9oh2-booh-c+o2<=>c5h9oh2-booh-co2 7.54e+12 0.000 0.000e+00 !secondary c5h9oh2-booh-d+o2<=>c5h9oh2-booh-do2 4.52e+12 0.000 0.000e+00 !primary c5h9oh2-booh-e+o2<=>c5h9oh2-booh-eo2 4.52e+12 0.000 0.000e+00 !primary ! c5h9oh2-cooh-a+o2<=>c5h9oh2-cooh-ao2 1.00e+12 0.000 0.000e+00 !alpha c5h9oh2-cooh-b+o2<=>c5h9oh2-cooh-bo2 1.41e+13 0.000 0.000e+00 !tertiary ! c5h9oh2-dooh-b+o2<=>c5h9oh2-dooh-bo2 1.41e+13 0.000 0.000e+00 !tertiary ! c5h9oh2-eooh-a+o2<=>c5h9oh2-eooh-ao2 1.00e+12 0.000 0.000e+00 !alpha c5h9oh2-eooh-c+o2<=>c5h9oh2-eooh-co2 7.54e+12 0.000 0.000e+00 !secondary ! ! class 27 Reaction of o2 with alpha-hydroxypentylhydroperoxide radicals ! c5h9oh2-booh-a+o2<=>c52ket43+ho2 3.78e+20 -2.429 3090. PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! c5h9oh2-cooh-a+o2<=>c52ket42+ho2 3.78e+20 -2.429 3090. PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! c5h9oh2-dooh-a+o2<=>c52ket41+ho2 3.78e+20 -2.429 3090. PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! c5h9oh2-eooh-a+o2<=>c52ket45+ho2 3.78e+20 -2.429 3090. PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! ! class 28 o2qooh=ketohydroperoxide+oh and other products ! c5h9oh2-aooh-bo2<=>c2h5coch3+ho2cho+oh 2.500e+10 0.000 2.1886e+04 !waddington mech rate rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-cooh-bo2<=>nc4ket23+ch2o+oh 2.500e+10 0.000 2.1886e+04 !waddington mech rate rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-dooh-bo2<=>nc4ket24+ch2o+oh 2.500e+10 0.000 2.1886e+04 !waddington mech rate rev/ 0.000e+00 0.000 0.000e+00 / ! c5h9oh2-aooh-bo2<=>c5oh2keta-b+oh 1.000e+11 0.000 2.145e+04 !5s, alpha -2kcal c5h9oh2-aooh-co2<=>c5oh2keta-c+oh 1.250e+10 0.000 1.545e+04 !6s, alpah -2kcal c5h9oh2-aooh-do2<=>c5oh2keta-d+oh 3.120e+09 0.000 1.365e+04 !7s, alpah -2kcal c5h9oh2-aooh-eo2<=>c5oh2keta-e+oh 1.250e+10 0.000 1.545e+04 !6s, alpah -2kcal ! c5h9oh2-booh-ao2<=>ic4h7ooh+hocho+oh 2.500e+10 0.000 2.045e+04 !6s alt. route rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-booh-co2<=>c3h4-a+ch3cho+ho2+oh+oh 2.500e+10 0.000 2.045e+04 !6s alt. route rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-booh-do2<=>c3h4-a+c2h4o2h+ho2+oh 3.120e+09 0.000 1.865e+04 !7s alt. route rev/ 0.000e+00 0.000 0.000e+00 / c5h9oh2-booh-eo2<=>ch2o+hoc3h6co+oh+oh 2.500e+10 0.000 2.045e+04 !6s alt. route rev/ 0.000e+00 0.000 0.000e+00 / ! c5h9oh2-cooh-ao2<=>c5oh2ketc-a+oh 1.250e+10 0.000 1.745e+04 !6s c5h9oh2-cooh-bo2<=>c5oh2ketc-b+oh 1.000e+11 0.000 2.345e+04 !5s ! c5h9oh2-dooh-bo2<=>c5oh2ketd-b+oh 2.500e+10 0.000 2.100e+04 !6p ! c5h9oh2-eooh-ao2<=>c5oh2kete-a+oh 2.500e+10 0.000 2.100e+04 !6p c5h9oh2-eooh-co2<=>c5oh2kete-c+oh 2.500e+10 0.000 2.100e+04 !6p ! ! class 29 ketohydroperoxide decomposition ! c5oh2keta-b<=>oh+ocho+c2h5coch3 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5oh2keta-c<=>oh+ch3cho+hoc2h4co 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5oh2keta-d<=>oh+ch2o+c3h6+ocho 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5oh2keta-e<=>oh+ch2o+hoc3h6co 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ! c5oh2ketc-a<=>oh+hocho+ch3chcoch3 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5oh2ketc-b<=>oh+ch3co+hoc2h4cho 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ! c5oh2ketd-b<=>oh+ch2cho+hoc2h4cho 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ! c5oh2kete-a<=>oh+hocho+c3h6cho-3 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5oh2kete-c<=>oh+ch3cho+hoc2h4co 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ! ! class 30 ! c5h9oho2a-c+oh<=>c4h71-3+hocho+h2o 2.500e+12 0.00 0.00 rev/ 0.000e+00 0.000 0.000e+00 / c5h9oho2a-d+oh<=>c4h71-4+hocho+h2o 2.500e+12 0.00 0.00 rev/ 0.000e+00 0.000 0.000e+00 / ! c5h9oho2b-d+oh<=>ch2o+ic4h6oh+h2o 2.500e+12 0.00 0.00 rev/ 0.000e+00 0.000 0.000e+00 / ! ! ! !class 31 miscellaneous reactions ! c52ket43=c2h5coch3+hco+oh 1.000e+16 0.00 3.900e+04 rev / 0.00e+00 0.00 0.00e+00 / c52ket42=ch3cho+ch3chcho+oh 1.000e+16 0.00 3.900e+04 rev / 0.00e+00 0.00 0.00e+00 / c52ket41=ch2o+ic3h6cho+oh 1.000e+16 0.00 3.900e+04 rev / 0.00e+00 0.00 0.00e+00 / c52ket45=ch2o+c3h6cho-3+oh 1.000e+16 0.00 3.900e+04 rev / 0.00e+00 0.00 0.00e+00 / ! !nc4h9cho-2 chemistry from LLNL iso-octane ! !nc4h9cho-2+oh<=>nc4h9co-2+h2o 3.370E+12 0.000 -6.160E+02 !rev/ 2.193E+12 0.000 3.093E+04 / !nc4h9cho-2+oh<=>c4h8cho1-2+h2o 3.120E+06 2.000 -2.980E+02 !rev/ 6.470E+05 1.990 1.914E+04 / !nc4h9cho-2+oh<=>c4h8cho2-2+h2o 1.684E+12 0.000 -7.810E+02 !rev/ 1.214E+13 -0.180 2.993E+04 / !nc4h9cho-2+oh<=>c4h8cho3-2+h2o 2.900E+09 1.000 2.580E+02 !rev/ 2.871E+07 1.380 2.215E+04 / !nc4h9cho-2+oh<=>c4h8cho4-2+h2o 3.160E+07 1.800 9.340E+02 !rev/ 6.553E+06 1.790 2.037E+04 / !nc4h9cho-2+ho2<=>nc4h9co-2+h2o2 1.000E+12 0.000 1.192E+04 !rev/ 3.863E+12 -0.330 1.200E+04 / !nc4h9cho-2+ho2<=>c4h8cho1-2+h2o2 2.380E+04 2.550 1.649E+04 !rev/ 2.930E+04 2.210 4.471E+03 / !nc4h9cho-2+ho2<=>c4h8cho2-2+h2o2 8.000E+10 0.000 1.192E+04 !rev/ 3.424E+12 -0.510 1.117E+04 / !nc4h9cho-2+ho2<=>c4h8cho3-2+h2o2 9.640E+03 2.600 1.391E+04 !rev/ 5.665E+02 2.650 4.342E+03 / !nc4h9cho-2+ho2<=>c4h8cho4-2+h2o2 2.380E+04 2.550 1.649E+04 !rev/ 2.930E+04 2.210 4.471E+03 / !nc4h9cho-2+ch3o2<=>nc4h9co-2+ch3o2h 1.000E+12 0.000 1.192E+04 !rev/ 1.588E+13 -0.510 1.128E+04 / !nc4h9cho-2+ch3o2<=>c4h8cho1-2+ch3o2h 2.380E+04 2.550 1.649E+04 !rev/ 1.204E+05 2.040 3.751E+03 / !nc4h9cho-2+ch3o2<=>c4h8cho2-2+ch3o2h 8.000E+10 0.000 1.192E+04 !rev/ 1.407E+13 -0.690 1.045E+04 / !nc4h9cho-2+ch3o2<=>c4h8cho3-2+ch3o2h 9.640E+03 2.600 1.391E+04 !rev/ 2.328E+03 2.470 3.622E+03 / !nc4h9cho-2+ch3o2<=>c4h8cho4-2+ch3o2h 2.380E+04 2.550 1.649E+04 !rev/ 1.204E+05 2.040 3.751E+03 / !nc4h9co-2<=>sc4h9+co 1.527E+13 -0.090 1.065E+04 !rev/ 1.500E+11 0.000 4.810E+03 / !c4h8cho1-2<=>c2h3cho+c2h5 8.937E+16 -1.180 2.620E+04 !rev/ 1.000E+11 0.000 1.060E+04 / !c4h8cho1-2<=>c4h8-1+hco 4.045E+16 -1.200 2.667E+04 !rev/ 1.000E+11 0.000 1.060E+04 / !c4h8cho2-2<=>ic3h5cho+ch3 2.027E+14 -0.450 3.455E+04 !rev/ 1.230E+11 0.000 1.060E+04 / !c4h8cho3-2<=>c4h8-2+hco 2.801E+15 -1.060 2.157E+04 !rev/ 1.000E+11 0.000 6.000E+03 / !c4h8cho4-2<=>ch3chcho+c2h4 4.387E+16 -1.470 2.649E+04 !rev/ 8.000E+10 0.000 1.130E+04 / ! ! ch3chcho chemistry from c7-c20 Sarathy et al. ! ch3chcho+ho2 = c2h5cho + o2 7.350e+12 0.00 1.310e+03 rev / 8.071e+13 -0.08 4.507e+04 / ch3chcho = c2h3cho+h 3.515e+15 -0.51 4.106e+04 rev / 6.500e+12 0.00 2.900e+03 / ch3chcho = ch3chco+h 1.135e+16 -0.66 4.031e+04 rev / 5.000e+12 0.00 1.200e+03 / ch3chcho+h2 = c2h5cho+h 2.160e+05 2.38 1.899e+04 rev / 4.309e+04 2.63 5.265e+03 / c2h5cho+ho2 = ch3chcho+h2o2 8.000e+10 0.00 1.192e+04 rev / 1.031e+13 -0.57 9.337e+03 / ch3chcho + o2 = ch3chco+ho2 1.810e+11 0.00 1.840e+03 rev / 2.731e+10 -0.01 1.269e+04 / ch3chcho + o2 = c2h3cho+ho2 2.725e+11 0.00 7.240e+03 rev / 1.726e+11 -0.16 1.904e+04 / ch3chcho + o2 = ch3cho+co + oh 3.620e+10 0.00 0.000e+00 rev / 0.000e+00 0.00 0.000e+00 / ! !ic4h8oh-3 from c4 butanol isomers Sarathy et al. ! ch2oh+c3h6<=>ic4h8oh-3 9.45e+02 2.67 6.85e+03 ch3+c3h5oh<=>ic4h8oh-3 1.89e+03 2.67 6.85e+03 ic3h5ch2oh+h<=>ic4h8oh-3 6.25e+11 0.51 2.62e+03 ic4h9o<=>ic4h8oh-3 1.59e-15 7.838 4.655e+03 ! !ac5h11 & ac5h10 from c7-c20 Sarathy et al. ! !ac5h11 = c3h6+c2h5 1.028e+18 -1.19 3.144e+04 !rev / 1.500e+11 0.00 1.060e+04 / !ac5h11 = c4h8-1+ch3 1.094e+16 -0.86 2.980e+04 !rev / 1.500e+11 0.00 9.200e+03 / !ac5h11 = ac5h10+h 4.550e+16 -0.92 3.637e+04 !rev / 1.000e+13 0.00 3.200e+03 / !ac5h11 + o2 = ac5h10+ho2 1.500e-19 0.00 2.000e+03 !rev / 2.000e-19 0.00 1.750e+04 / !ac5h11 = dc5h11 3.000e+11 0.00 2.110e+04 !rev / 3.000e+11 0.00 2.110e+04 / ! !ac5h10 + oh = ic5h9+h2o 1.000e+12 0.00 1.230e+03 !rev / 5.000e+12 0.00 2.650e+04 / !ac5h10+h = ic5h9+h2 1.000e+12 0.00 3.800e+03 !rev / 1.000e+12 0.00 2.500e+04 / !ac5h10+ch3 = ic5h9+ch4 5.000e+11 0.00 7.300e+03 !rev / 6.000e+11 0.00 2.500e+04 / !ac5h10+o = ic5h9 + oh 3.700e+05 2.56 -1.130e+03 !rev / 1.000e+12 0.00 2.500e+04 / ! !end ! ! ! !rev/ 2.575e+02 3.174 9.091e+03 / !rev/ 1.467e+00 3.572 9.246e+03 / !rev/ 1.899e+01 3.373 9.327e+03 / !rev/ 2.005e+01 3.384 8.615e+03 / ! ! !rev/ 2.986e+03 2.649 6.059e+03 / !rev/ 5.019e-01 3.554 6.401e+03 / !rev/ 4.509e+00 3.393 6.290e+03 / !rev/ 1.158e+02 3.039 5.689e+03 / ! ! !rev/ 2.384e+07 1.498 1.882e+04 / !rev/ 1.480e+06 1.576 2.162e+04 / !rev/ 7.248e+03 2.477 1.971e+04 / !rev/ 1.185e+07 1.498 1.882e+04 / ! ! ! ! !rev/ 5.035e+00 3.529 3.495e+03 / !rev/ 9.170e-01 3.487 2.756e+03 / !rev/ 5.341e-01 3.648 2.574e+03 / !rev/ 2.518e+00 3.529 3.495e+03 / ! ! ! ! ! ! ! ! ! ac5h11<=>dc5h11 3.000e+11 0.000 2.110e+04 rev/ 3.000e+11 0.000 2.110e+04 / ! !ac5h11<=>c3h6+c2h5 2.907e+13 0.361 2.971e+04 !rev/ 1.420e+03 2.670 6.850e+03 / !ac5h11<=>c4h8-1+ch3 4.835e+11 0.850 3.080e+04 !rev/ 1.890e+03 2.670 6.850e+03 / !bc5h11<=>ic4h8+ch3 5.272e+10 1.192 3.022e+04 !rev/ 4.400e+04 2.480 6.130e+03 / !cc5h11<=>c4h8-2+ch3 5.276e+10 0.935 3.062e+04 !rev/ 1.890e+03 2.670 6.850e+03 / ! !dc5h11<=>c2h4+ic3h7 1.237e+14 0.076 2.896e+04 !rev/ 8.800e+03 2.480 6.130e+03 / ! c2h4+ic3h7=dc5h11 8.800e+03 2.480 6.130e+03 c3h6+c2h5=ac5h11 1.300e+03 2.500 8.520e+03 c4h8-1+ch3=ac5h11 1.300e+03 2.500 8.520e+03 ic4h8+ch3=bc5h11 6.090e+02 2.48 6.130e+03 ! ! ac5h11<=>ac5h10+h 1.892e+13 0.194 3.422e+04 rev/ 6.250e+11 0.510 2.620e+03 / bc5h11<=>ac5h10+h 3.665e+11 0.732 3.715e+04 rev/ 1.060e+12 0.510 1.230e+03 / bc5h11<=>bc5h10+h 6.171e+11 0.487 3.558e+04 rev/ 6.250e+11 0.510 2.620e+03 / dc5h11<=>cc5h10+h 3.658e+12 0.218 3.563e+04 rev/ 2.500e+11 0.510 2.620e+03 / ! ! ! ! ! ac5h11+o2<=>ac5h10+ho2 2.000e-18 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / bc5h11+o2<=>ac5h10+ho2 2.000e-18 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / bc5h11+o2<=>bc5h10+ho2 2.000e-18 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / dc5h11+o2<=>cc5h10+ho2 2.000e-18 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / ! ! ! ! ! ac5h10<=>ic4h7+ch3 1.900e+20 -1.582 7.593e+04 rev/ 2.550e+13 -0.320 -1.310e+02 / ac5h10<=>c3h5-t+c2h5 8.922e+24 -2.409 1.005e+05 rev/ 1.000e+13 0.000 0.000e+00 / bc5h10<=>c4h72-2+ch3 1.217e+23 -1.926 1.014e+05 rev/ 1.000e+13 0.000 0.000e+00 / !bc5h10<=>ic4h7+ch3 2.610e+19 -1.017 7.902e+04 !rev/ 1.000e+13 0.000 0.000e+00 / cc5h10<=>c4h71-3+ch3 1.302e+21 -1.639 7.614e+04 rev/ 1.000e+13 0.000 0.000e+00 / ac5h10+oh<=>sc4h9+ch2o 2.000e+10 0.000 4.000e+03 rev/ 2.000e+13 0.000 2.000e+04 / bc5h10+oh<=>ic3h7+ch3cho 2.000e+10 0.000 4.000e+03 rev/ 2.000e+13 0.000 2.000e+04 / cc5h10+oh<=>ic4h9+ch2o 2.000e+10 0.000 4.000e+03 rev/ 2.000e+13 0.000 2.000e+04 / ac5h10+o<=>sc4h9+hco 7.230e+05 2.340 -1.050e+03 rev/ 2.000e+05 2.340 8.030e+04 / ac5h10+o<=>ic3h7+ch3co 7.230e+05 2.340 -1.050e+03 rev/ 2.000e+05 2.340 8.030e+04 / ac5h10+o<=>ic4h9+hco 7.230e+05 2.340 -1.050e+03 rev/ 2.000e+05 2.340 8.030e+04 / ac5h10+h<=>ac5h9-a2+h2 1.730e+05 2.500 2.492e+03 rev/ 6.952e+06 1.890 2.010e+04 / ac5h10+h<=>ac5h9-c+h2 3.376e+05 2.360 2.070e+02 rev/ 4.352e+06 2.100 2.033e+04 / ac5h10+h<=>ac5h9-d+h2 6.651e+05 2.540 6.756e+03 rev/ 3.040e+04 2.540 1.104e+04 / ac5h10+oh<=>ac5h9-a2+h2o 3.120e+06 2.000 -2.980e+02 rev/ 5.428e+08 1.390 3.247e+04 / ac5h10+oh<=>ac5h9-c+h2o 2.764e+04 2.640 -1.919e+03 rev/ 1.543e+06 2.380 3.336e+04 / ac5h10+oh<=>ac5h9-d+h2o 5.270e+09 0.970 1.586e+03 rev/ 1.043e+09 0.970 2.102e+04 / ac5h10+ch3<=>ac5h9-a2+ch4 2.210e+00 3.500 5.675e+03 rev/ 2.320e+03 2.890 2.377e+04 / ac5h10+ch3<=>ac5h9-c+ch4 3.690e+00 3.310 4.002e+03 rev/ 1.243e+03 3.050 2.460e+04 / ac5h10+ch3<=>ac5h9-d+ch4 4.521e-01 3.650 7.154e+03 rev/ 5.398e-01 3.650 1.191e+04 / ac5h10+ho2<=>ac5h9-a2+h2o2 9.639e+03 2.600 1.391e+04 rev/ 9.955e+06 1.660 1.521e+04 / ac5h10+ho2<=>ac5h9-c+h2o2 4.820e+03 2.550 1.053e+04 rev/ 1.597e+06 1.960 1.434e+04 / ac5h10+ho2<=>ac5h9-d+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.796e+04 2.220 4.466e+03 / ac5h10+ch3o2<=>ac5h9-a2+ch3o2h 9.639e+03 2.600 1.391e+04 rev/ 2.073e+07 1.490 1.219e+04 / ac5h10+ch3o2<=>ac5h9-c+ch3o2h 4.820e+03 2.550 1.053e+04 rev/ 3.326e+06 1.790 1.132e+04 / ac5h10+ch3o2<=>ac5h9-d+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 5.822e+04 2.040 1.446e+03 / ac5h10+ch3o<=>ac5h9-a2+ch3oh 9.000e+01 2.950 1.199e+04 rev/ 1.744e+03 2.370 2.787e+04 / ac5h10+ch3o<=>ac5h9-c+ch3oh 4.000e+01 2.900 8.609e+03 rev/ 2.486e+02 2.670 2.700e+04 / ac5h10+ch3o<=>ac5h9-d+ch3oh 2.170e+11 0.000 6.458e+03 rev/ 4.782e+09 0.020 9.008e+03 / bc5h10+h<=>ac5h9-c+h2 3.460e+05 2.500 2.492e+03 rev/ 1.274e+07 2.000 1.965e+04 / bc5h10+h<=>cc5h9-b+h2 1.730e+05 2.500 2.492e+03 rev/ 7.021e+06 2.170 2.040e+04 / bc5h10+oh<=>ac5h9-c+h2o 6.240e+06 2.000 -2.980e+02 rev/ 9.945e+08 1.500 3.202e+04 / bc5h10+oh<=>cc5h9-b+h2o 3.120e+06 2.000 -2.980e+02 rev/ 5.482e+08 1.670 3.277e+04 / bc5h10+ch3<=>ac5h9-c+ch4 4.420e+00 3.500 5.675e+03 rev/ 4.250e+03 3.000 2.332e+04 / bc5h10+ch3<=>cc5h9-b+ch4 2.210e+00 3.500 5.675e+03 rev/ 2.343e+03 3.170 2.406e+04 / bc5h10+ho2<=>ac5h9-c+h2o2 1.928e+04 2.600 1.391e+04 rev/ 1.824e+07 1.770 1.476e+04 / bc5h10+ho2<=>cc5h9-b+h2o2 9.639e+03 2.600 1.391e+04 rev/ 1.005e+07 1.940 1.551e+04 / bc5h10+ch3o2<=>ac5h9-c+ch3o2h 1.928e+04 2.600 1.391e+04 rev/ 3.798e+07 1.590 1.174e+04 / bc5h10+ch3o2<=>cc5h9-b+ch3o2h 9.639e+03 2.600 1.391e+04 rev/ 2.094e+07 1.770 1.249e+04 / bc5h10+ch3o<=>ac5h9-c+ch3oh 1.800e+02 2.950 1.199e+04 rev/ 3.194e+03 2.470 2.742e+04 / bc5h10+ch3o<=>cc5h9-b+ch3oh 9.000e+01 2.950 1.199e+04 rev/ 1.761e+03 2.640 2.817e+04 / cc5h10+h<=>cc5h9-a+h2 1.330e+06 2.540 6.756e+03 rev/ 6.153e+04 2.540 1.103e+04 / cc5h10+h<=>cc5h9-b+h2 2.650e+06 2.200 0.000e+00 rev/ 1.821e+07 2.140 2.228e+04 / cc5h10+oh<=>cc5h9-a+h2o 1.054e+10 0.970 1.586e+03 rev/ 2.111e+09 0.970 2.102e+04 / cc5h10+oh<=>cc5h9-b+h2o 6.140e+02 3.200 -3.500e+03 rev/ 1.827e+04 3.140 3.394e+04 / cc5h10+ch3<=>cc5h9-a+ch4 9.042e-01 3.650 7.154e+03 rev/ 1.093e+00 3.650 1.191e+04 / cc5h10+ch3<=>cc5h9-b+ch4 4.613e+00 3.100 2.330e+03 rev/ 8.280e+02 3.040 2.509e+04 / cc5h10+ho2<=>cc5h9-a+h2o2 4.760e+04 2.550 1.649e+04 rev/ 5.660e+04 2.220 4.461e+03 / cc5h10+ho2<=>cc5h9-b+h2o2 1.810e+03 2.500 7.154e+03 rev/ 3.196e+05 2.110 1.313e+04 / cc5h10+ch3o2<=>cc5h9-a+ch3o2h 4.760e+04 2.550 1.649e+04 rev/ 1.179e+05 2.040 1.441e+03 / cc5h10+ch3o2<=>cc5h9-b+ch3o2h 1.810e+03 2.500 7.154e+03 rev/ 6.656e+05 1.930 1.011e+04 / cc5h10+ch3o<=>cc5h9-a+ch3oh 4.340e+11 0.000 6.458e+03 rev/ 9.680e+09 0.020 9.003e+03 / cc5h10+ch3o<=>cc5h9-b+ch3oh 1.000e+01 2.850 5.231e+03 rev/ 3.313e+01 2.810 2.579e+04 / ac5h9-a2+ho2<=>ac5h9o-a2+oh 9.640e+12 0.000 0.000e+00 rev/ 2.747e+13 -0.160 1.325e+04 / ac5h9-a2+ch3o2<=>ac5h9o-a2+ch3o 9.640e+12 0.000 0.000e+00 rev/ 2.683e+15 -0.740 1.801e+04 / ac5h9-a2+c2h5o2<=>ac5h9o-a2+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 1.756e+12 0.180 1.586e+04 / ac5h9-c+ho2<=>ac5h9o-c+oh 9.640e+12 0.000 0.000e+00 rev/ 2.731e+15 -0.960 1.562e+04 / ac5h9-c+ch3o2<=>ac5h9o-c+ch3o 9.640e+12 0.000 0.000e+00 rev/ 2.668e+17 -1.530 2.038e+04 / ac5h9-c+c2h5o2<=>ac5h9o-c+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 1.746e+14 -0.610 1.822e+04 / ac5h9-d<=>ac5h9-a2 1.113e+12 0.000 3.170e+04 rev/ 9.785e+14 -0.610 4.503e+04 / cc5h9-b+ho2<=>cc5h9o-b+oh 9.640e+12 0.000 0.000e+00 rev/ 2.939e+15 -1.020 1.687e+04 / cc5h9-b+ch3o2<=>cc5h9o-b+ch3o 9.640e+12 0.000 0.000e+00 rev/ 2.871e+17 -1.590 2.164e+04 / cc5h9-b+c2h5o2<=>cc5h9o-b+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 1.879e+14 -0.670 1.948e+04 / ac5h9o-a2<=>c4h71-2+ch2o 9.210e+17 -1.430 3.033e+04 rev/ 1.000e+11 0.000 1.190e+04 / ac5h9o-c<=>ch3cho+c3h5-t 3.231e+22 -2.630 3.031e+04 rev/ 1.000e+11 0.000 1.190e+04 / cc5h9o-b<=>ch3coch3+c2h3 7.813e+13 -0.250 2.233e+04 rev/ 1.000e+11 0.000 1.190e+04 / ! ! ! ! ! ! !rev/ 9.090e+10 -0.509 8.950e+03 / !rev/ 2.509e+06 0.781 1.078e+04 / !rev/ 2.888e+09 -0.121 7.860e+03 / !rev/ 1.136e+10 -0.509 6.900e+03 / !rev/ 1.335e+12 -0.496 1.393e+04 / !rev/ 2.991e+10 -0.155 1.389e+04 / !rev/ 8.345e+10 -0.496 8.930e+03 / !rev/ 1.958e+11 -0.518 8.950e+03 / !rev/ 5.577e+09 0.022 1.294e+04 / !rev/ 7.834e+11 -0.518 1.395e+04 / !rev/ 3.417e+10 -0.509 6.900e+03 / !rev/ 7.046e+08 0.024 7.970e+03 / !rev/ 2.309e+10 -0.121 1.386e+04 / ! ! ! !rev/ 1.453e+27 -5.382 2.072e+04 / !rev/ 2.690e+32 -7.234 1.662e+04 / !rev/ 4.683e+27 -5.689 1.858e+04 / !rev/ 2.978e+25 -4.855 1.889e+04 / !rev/ 1.971e+33 -7.314 1.652e+04 / !rev/ 1.680e+30 -6.296 2.031e+04 / ! ! !ac5h11o2<=>ac5h10+ho2 8.53e+35 -7.2 41490.0 !rev/ 1.453e+27 -5.382 2.072e+04 / !bc5h11o2<=>ac5h10+ho2 2.02e+43 -9.4 43490.0 !rev/ 2.690e+32 -7.234 1.662e+04 / !bc5h11o2<=>bc5h10+ho2 1.00e+39 -8.1 42490.0 !rev/ 4.683e+27 -5.689 1.858e+04 / !cc5h11o2<=>bc5h10+ho2 8.53e+35 -7.2 41490.0 !rev/ 2.978e+25 -4.855 1.889e+04 / !cc5h11o2<=>cc5h10+ho2 1.01e+43 -9.4 42490.0 !rev/ 1.971e+33 -7.314 1.652e+04 / !dc5h11o2<=>cc5h10+ho2 1.00e+39 -8.1 41490.0 !rev/ 1.680e+30 -6.296 2.031e+04 / ! ! ! ! !ac5h10ooh-b<=>a-bc5h10o+oh 1.20e+12 0.0 22000.0 !rev/ 0.000e+00 0.000 0.000e+00 / !ac5h10ooh-a<=>a-ac5h10o+oh 3.00e+11 0.0 14250.0 !rev/ 0.000e+00 0.000 0.000e+00 / !ac5h10ooh-c<=>a-cc5h10o+oh 3.00e+11 0.0 14250.0 !rev/ 0.000e+00 0.000 0.000e+00 / !ac5h10ooh-d<=>a-dc5h10o+oh 2.74e+10 0.0 7000.0 !rev/ 0.000e+00 0.000 0.000e+00 / !bc5h10ooh-a<=>a-bc5h10o+oh 1.20e+12 0.0 22000.0 !rev/ 0.000e+00 0.000 0.000e+00 / !bc5h10ooh-c<=>b-cc5h10o+oh 1.20e+12 0.0 22000.0 !rev/ 0.000e+00 0.000 0.000e+00 / !bc5h10ooh-d<=>b-dc5h10o+oh 3.00e+11 0.0 14250.0 !rev/ 0.000e+00 0.000 0.000e+00 / !cc5h10ooh-b<=>b-cc5h10o+oh 1.20e+12 0.0 22000.0 !rev/ 0.000e+00 0.000 0.000e+00 / !cc5h10ooh-d<=>c-dc5h10o+oh 1.20e+12 0.0 22000.0 !rev/ 0.000e+00 0.000 0.000e+00 / !cc5h10ooh-a<=>a-cc5h10o+oh 3.00e+11 0.0 14250.0 !rev/ 0.000e+00 0.000 0.000e+00 / !dc5h10ooh-c<=>c-dc5h10o+oh 1.20e+12 0.0 22000.0 !rev/ 0.000e+00 0.000 0.000e+00 / !dc5h10ooh-b<=>b-dc5h10o+oh 3.00e+11 0.0 14250.0 !rev/ 0.000e+00 0.000 0.000e+00 / !dc5h10ooh-a<=>a-dc5h10o+oh 2.74e+10 0.0 7000.0 !rev/ 0.000e+00 0.000 0.000e+00 / ! ! ! ! !rev/ 1.000e+11 0.000 1.100e+04 / !rev/ 1.000e+11 0.000 1.175e+04 / !rev/ 1.000e+11 0.000 1.175e+04 / !rev/ 1.000e+11 0.000 1.175e+04 / !rev/ 1.000e+11 0.000 1.175e+04 / !rev/ 1.000e+11 0.000 1.100e+04 / ! ! ! ! ! ! ! !rev/ 1.085e+03 1.443 4.443e+04 / !rev/ 9.214e+04 1.245 4.873e+04 / !rev/ 1.467e+03 1.400 4.446e+04 / !rev/ 2.703e+02 1.443 4.238e+04 / !rev/ 6.798e+01 1.818 4.359e+04 / !rev/ 7.501e+03 1.581 4.893e+04 / !rev/ 5.039e+02 1.802 4.973e+04 / !rev/ 1.599e+02 1.504 4.268e+04 / !rev/ 1.358e+03 1.496 4.473e+04 / !rev/ 2.713e+04 1.347 4.891e+04 / ! ! ! ! ic5ketda<=>ch2o+c3h6cho-2+oh 1.00e+16 0.0 39000.0 rev/ 0.000e+00 0.000 0.000e+00 / ic5ketdb<=>ch3coch3+ch2cho+oh 1.00e+16 0.0 39000.0 rev/ 0.000e+00 0.000 0.000e+00 / ic5ketdc<=>ic3h7cho+hco+oh 1.00e+16 0.0 39000.0 rev/ 0.000e+00 0.000 0.000e+00 / ! ! ! ! !ch3chcho<=>c2h3cho+h 3.515e+15 -0.510 4.106e+04 !rev/ 6.500e+12 0.000 2.900e+03 / !ch3chcho<=>ch3chco+h 1.135e+16 -0.660 4.031e+04 !rev/ 5.000e+12 0.000 1.200e+03 / !ch3chcho+h2<=>c2h5cho+h 2.160e+05 2.380 1.899e+04 !rev/ 4.309e+04 2.630 5.265e+03 / ! ! ! ! ! bc6h12+oh<=>ch3coch3+nc3h7 1.000e+11 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / bc6h12+oh<=>c2h5cho+ic3h7 1.000e+11 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / bc6h12<=>ch3+cc5h9-b 1.000e+16 0.000 7.100e+04 rev/ 1.000e+13 0.000 0.000e+00 / bc6h12+h<=>cc6h11-b+h2 3.376e+05 2.360 2.070e+02 rev/ 2.496e+06 2.270 2.104e+04 / bc6h12+oh<=>cc6h11-b+h2o 2.764e+04 2.640 -1.919e+03 rev/ 8.847e+05 2.550 3.407e+04 / bc6h12+ch3<=>cc6h11-b+ch4 3.690e+00 3.310 4.002e+03 rev/ 7.126e+02 3.220 2.531e+04 / bc6h12+ho2<=>cc6h11-b+h2o2 4.820e+03 2.550 1.053e+04 rev/ 9.158e+05 2.130 1.505e+04 / bc6h12+ch3o2<=>cc6h11-b+ch3o2h 4.820e+03 2.550 1.053e+04 rev/ 1.907e+06 1.950 1.203e+04 / bc6h12+ch3o<=>cc6h11-b+ch3oh 4.000e+01 2.900 8.609e+03 rev/ 1.426e+02 2.830 2.771e+04 / cc6h11-b+ho2<=>cc6h11o-b+oh 9.640e+12 0.000 0.000e+00 rev/ 5.162e+15 -1.000 1.707e+04 / cc6h11-b+ch3o2<=>cc6h11o-b+ch3o 9.640e+12 0.000 0.000e+00 rev/ 5.042e+17 -1.570 2.183e+04 / cc6h11-b+c2h5o2<=>cc6h11o-b+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 3.301e+14 -0.650 1.967e+04 / cc6h11o-b<=>ch3coch3+c3h5-s 7.180e+17 -1.200 2.837e+04 rev/ 1.000e+11 0.000 1.190e+04 / nc4h9cho-2+oh<=>nc4h9co-2+h2o 3.370e+12 0.000 -6.160e+02 rev/ 2.193e+12 0.000 3.093e+04 / nc4h9cho-2+oh<=>c4h8cho1-2+h2o 3.120e+06 2.000 -2.980e+02 rev/ 6.470e+05 1.990 1.914e+04 / nc4h9cho-2+oh<=>c4h8cho2-2+h2o 1.684e+12 0.000 -7.810e+02 rev/ 1.214e+13 -0.180 2.993e+04 / nc4h9cho-2+oh<=>c4h8cho3-2+h2o 2.900e+09 1.000 2.580e+02 rev/ 2.871e+07 1.380 2.215e+04 / nc4h9cho-2+oh<=>c4h8cho4-2+h2o 3.160e+07 1.800 9.340e+02 rev/ 6.553e+06 1.790 2.037e+04 / nc4h9cho-2+ho2<=>nc4h9co-2+h2o2 1.000e+12 0.000 1.192e+04 rev/ 3.863e+12 -0.330 1.200e+04 / nc4h9cho-2+ho2<=>c4h8cho1-2+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.930e+04 2.210 4.471e+03 / nc4h9cho-2+ho2<=>c4h8cho2-2+h2o2 8.000e+10 0.000 1.192e+04 rev/ 3.424e+12 -0.510 1.117e+04 / nc4h9cho-2+ho2<=>c4h8cho3-2+h2o2 9.640e+03 2.600 1.391e+04 rev/ 5.665e+02 2.650 4.342e+03 / nc4h9cho-2+ho2<=>c4h8cho4-2+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.930e+04 2.210 4.471e+03 / nc4h9cho-2+ch3o2<=>nc4h9co-2+ch3o2h 1.000e+12 0.000 1.192e+04 rev/ 1.588e+13 -0.510 1.128e+04 / nc4h9cho-2+ch3o2<=>c4h8cho1-2+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 1.204e+05 2.040 3.751e+03 / nc4h9cho-2+ch3o2<=>c4h8cho2-2+ch3o2h 8.000e+10 0.000 1.192e+04 rev/ 1.407e+13 -0.690 1.045e+04 / nc4h9cho-2+ch3o2<=>c4h8cho3-2+ch3o2h 9.640e+03 2.600 1.391e+04 rev/ 2.328e+03 2.470 3.622e+03 / nc4h9cho-2+ch3o2<=>c4h8cho4-2+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 1.204e+05 2.040 3.751e+03 / nc4h9co-2<=>sc4h9+co 1.527e+13 -0.090 1.065e+04 rev/ 1.500e+11 0.000 4.810e+03 / c4h8cho1-2<=>c2h3cho+c2h5 8.937e+16 -1.180 2.620e+04 rev/ 1.000e+11 0.000 1.060e+04 / c4h8cho1-2<=>c4h8-1+hco 4.045e+16 -1.200 2.667e+04 rev/ 1.000e+11 0.000 1.060e+04 / c4h8cho2-2<=>ic3h5cho+ch3 2.027e+14 -0.450 3.455e+04 rev/ 1.230e+11 0.000 1.060e+04 / c4h8cho3-2<=>c4h8-2+hco 2.801e+15 -1.060 2.157e+04 rev/ 1.000e+11 0.000 6.000e+03 / c4h8cho4-2<=>ch3chcho+c2h4 4.387e+16 -1.470 2.649e+04 rev/ 8.000e+10 0.000 1.130e+04 / !ic4h9cho+oh<=>ic4h9co+h2o 2.690e+10 0.760 -3.400e+02 !rev/ 1.623e+10 0.760 3.118e+04 / !ic4h9cho+oh<=>tc3h6ch2cho+h2o 2.700e+09 1.000 -1.490e+02 !rev/ 1.043e+07 1.560 2.379e+04 / !ic4h9cho+oh<=>ic3h6ch2cho+h2o 3.160e+07 1.800 9.340e+02 !rev/ 5.174e+06 1.820 2.033e+04 / !ic4h9cho+oh<=>ic3h7chcho+h2o 2.900e+09 1.000 2.580e+02 !rev/ 7.228e+10 0.740 2.915e+04 / !ic4h9cho+ho2<=>ic4h9co+h2o2 3.000e+12 0.000 1.192e+04 !rev/ 1.075e+13 -0.320 1.199e+04 / !ic4h9cho+ho2<=>tc3h6ch2cho+h2o2 3.610e+03 2.550 1.053e+04 !rev/ 8.276e+01 2.780 3.004e+03 / !ic4h9cho+ho2<=>ic3h6ch2cho+h2o2 4.760e+04 2.550 1.649e+04 !rev/ 4.627e+04 2.240 4.430e+03 / !ic4h9cho+ho2<=>ic3h7chcho+h2o2 9.640e+03 2.600 1.151e+04 !rev/ 1.426e+06 2.010 8.942e+03 / !ic4h9cho+ch3o2<=>ic4h9co+ch3o2h 2.800e+12 0.000 1.360e+04 !rev/ 4.121e+13 -0.500 1.294e+04 / !ic4h9cho+ch3o2<=>tc3h6ch2cho+ch3o2h 3.610e+03 2.550 1.053e+04 !rev/ 3.401e+02 2.600 2.284e+03 / !ic4h9cho+ch3o2<=>ic3h6ch2cho+ch3o2h 4.760e+04 2.550 1.649e+04 !rev/ 1.901e+05 2.070 3.710e+03 / !ic4h9cho+ch3o2<=>ic3h7chcho+ch3o2h 9.640e+03 2.600 1.151e+04 !rev/ 5.861e+06 1.830 8.222e+03 / !ic4h9co<=>ic4h9+co 4.416e+16 -1.000 1.335e+04 !rev/ 1.500e+11 0.000 4.810e+03 / !ic4h9co<=>ic3h7+ch2co 6.784e+12 0.170 3.634e+04 !rev/ 1.000e+11 0.000 9.200e+03 / !tc3h6ch2cho<=>ic4h8+hco 1.393e+14 -0.550 2.324e+04 !rev/ 1.000e+11 0.000 6.000e+03 / !ic3h6ch2cho<=>c3h6+ch2cho 1.569e+16 -1.120 2.587e+04 !rev/ 8.000e+10 0.000 1.060e+04 / !ic3h6ch2cho<=>ac3h5cho+ch3 1.915e+15 -0.720 3.287e+04 !rev/ 8.000e+10 0.000 1.060e+04 / !ic3h7chcho<=>sc3h5cho+ch3 4.405e+15 -0.640 3.215e+04 !rev/ 1.230e+11 0.000 1.060e+04 / c5h10-1+oh<=>pc4h9+ch2o 2.000e+10 0.000 -4.000e+03 rev/ 3.000e+11 0.000 2.040e+04 / c5h10-2+oh<=>c2h5+c2h5cho 1.000e+10 0.000 -4.000e+03 rev/ 2.000e+13 0.000 2.000e+04 / c5h10-2+oh<=>nc3h7+ch3cho 2.000e+10 0.000 -4.000e+03 rev/ 2.000e+13 0.000 2.000e+04 / c5h10-2+o<=>c3h6+ch3cho 1.000e+10 0.000 0.000e+00 rev/ 1.000e+12 0.000 8.100e+04 / c5h10-1+o<=>pc4h9+hco 1.000e+11 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10-1+o<=>nc3h7+ch3co 1.000e+11 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / nc4h9cho+ho2<=>c4h8cho-2+h2o2 1.475e+04 2.600 1.391e+04 rev/ 1.282e+03 2.600 4.399e+03 / nc4h9cho+ho2<=>c4h8cho-3+h2o2 1.475e+04 2.600 1.391e+04 rev/ 1.282e+03 2.600 4.399e+03 / nc4h9cho+ho2<=>c4h8cho-4+h2o2 2.950e+04 2.600 1.391e+04 rev/ 4.506e+06 2.000 1.135e+04 / nc4h9cho+ch3o2<=>c4h8cho-2+ch3o2h 1.990e+12 0.000 1.705e+04 rev/ 7.106e+11 -0.180 6.821e+03 / nc4h9cho+ch3o2<=>c4h8cho-3+ch3o2h 1.990e+12 0.000 1.705e+04 rev/ 7.106e+11 -0.180 6.821e+03 / nc4h9cho+ch3o2<=>c4h8cho-4+ch3o2h 3.980e+12 0.000 1.705e+04 rev/ 2.498e+15 -0.770 1.377e+04 / ic4h7-i1<=>c3h4-p+ch3 2.103e+12 0.080 2.995e+04 rev/ 1.000e+11 0.000 9.200e+03 / yc7h15<=>ic3h7+ic4h8 2.220e+20 -2.060 3.247e+04 rev/ 5.000e+10 0.000 9.200e+03 / yc7h15<=>xc7h14+h 1.437e+13 0.230 3.769e+04 rev/ 2.600e+13 0.000 1.200e+03 / yc7h15<=>yc7h14+h 3.093e+13 0.049 3.639e+04 rev/ 2.600e+13 0.000 2.500e+03 / yc7h15+o2<=>xc7h14+ho2 6.000e-29 0.000 5.020e+03 rev/ 2.000e-29 0.000 1.750e+04 / yc7h15+o2<=>yc7h14+ho2 3.000e-29 0.000 3.000e+03 rev/ 2.000e-29 0.000 1.750e+04 / xc7h14<=>ic3h7+ic4h7 2.211e+24 -2.392 7.467e+04 rev/ 1.280e+14 -0.350 0.000e+00 / yc7h14<=>ch3+cc6h11-b 4.469e+22 -2.128 7.543e+04 rev/ 1.930e+14 -0.320 0.000e+00 / yc7h15+ho2<=>yc7h15o+oh 7.000e+12 0.000 -1.000e+03 rev/ 2.414e+18 -1.326 2.840e+04 / yc7h15+ch3o2<=>yc7h15o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 1.510e+17 -1.027 3.264e+04 / xc7h14+oh<=>ch3coch3+ic4h9 2.000e+10 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / yc7h14+oh<=>ch3coch3+ic4h9 2.000e+10 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / yc7h14+o<=>ch3coch3+ic4h8 2.000e+10 0.000 -1.050e+03 rev/ 0.000e+00 0.000 0.000e+00 / xc7h14+h<=>xc7h13-x1+h2 1.730e+05 2.500 2.492e+03 rev/ 7.047e+06 1.890 2.013e+04 / xc7h14+h<=>xc7h13-z+h2 3.376e+05 2.360 2.070e+02 rev/ 4.418e+06 2.100 2.037e+04 / xc7h14+h<=>xc7h13-y2+h2 6.020e+05 2.400 2.583e+03 rev/ 4.739e+02 2.970 1.118e+04 / xc7h14+h<=>xc7h13-x2+h2 1.330e+06 2.540 6.756e+03 rev/ 6.881e+04 2.520 1.108e+04 / xc7h14+oh<=>xc7h13-x1+h2o 3.120e+06 2.000 -2.980e+02 rev/ 5.503e+08 1.390 3.250e+04 / xc7h14+oh<=>xc7h13-z+h2o 2.764e+04 2.640 -1.919e+03 rev/ 1.566e+06 2.380 3.340e+04 / xc7h14+oh<=>xc7h13-y2+h2o 5.733e+10 0.510 6.300e+01 rev/ 1.954e+08 1.080 2.382e+04 / xc7h14+oh<=>xc7h13-x2+h2o 1.054e+10 0.970 1.586e+03 rev/ 2.361e+09 0.950 2.106e+04 / xc7h14+ch3<=>xc7h13-x1+ch4 2.210e+00 3.500 5.675e+03 rev/ 2.352e+03 2.890 2.380e+04 / xc7h14+ch3<=>xc7h13-z+ch4 3.690e+00 3.310 4.002e+03 rev/ 1.262e+03 3.050 2.464e+04 / xc7h14+ch3<=>xc7h13-y2+ch4 6.010e-10 6.360 8.930e+02 rev/ 1.236e-11 6.940 9.973e+03 / xc7h14+ch3<=>xc7h13-x2+ch4 9.042e-01 3.650 7.154e+03 rev/ 1.222e+00 3.630 1.195e+04 / xc7h14+ho2<=>xc7h13-x1+h2o2 9.639e+03 2.600 1.391e+04 rev/ 1.009e+07 1.660 1.524e+04 / xc7h14+ho2<=>xc7h13-z+h2o2 4.820e+03 2.550 1.053e+04 rev/ 1.621e+06 1.960 1.438e+04 / xc7h14+ho2<=>xc7h13-y2+h2o2 3.610e+03 2.550 1.053e+04 rev/ 7.304e+01 2.800 2.824e+03 / xc7h14+ho2<=>xc7h13-x2+h2o2 4.760e+04 2.550 1.649e+04 rev/ 6.330e+04 2.200 4.506e+03 / xc7h14+ch3o2<=>xc7h13-x1+ch3o2h 9.639e+03 2.600 1.391e+04 rev/ 2.101e+07 1.490 1.222e+04 / xc7h14+ch3o2<=>xc7h13-z+ch3o2h 4.820e+03 2.550 1.053e+04 rev/ 3.376e+06 1.790 1.136e+04 / xc7h14+ch3o2<=>xc7h13-y2+ch3o2h 3.610e+03 2.550 1.053e+04 rev/ 1.521e+02 2.620 -1.960e+02 / xc7h14+ch3o2<=>xc7h13-x2+ch3o2h 4.760e+04 2.550 1.649e+04 rev/ 1.318e+05 2.030 1.486e+03 / xc7h14+ch3o<=>xc7h13-x1+ch3oh 9.000e+01 2.950 1.199e+04 rev/ 1.767e+03 2.360 2.790e+04 / xc7h14+ch3o<=>xc7h13-z+ch3oh 4.000e+01 2.900 8.609e+03 rev/ 2.524e+02 2.660 2.704e+04 / xc7h14+ch3o<=>xc7h13-y2+ch3oh 2.290e+10 0.000 2.873e+03 rev/ 8.692e+06 0.600 9.743e+03 / xc7h14+ch3o<=>xc7h13-x2+ch3oh 4.340e+11 0.000 6.458e+03 rev/ 1.083e+10 0.000 9.048e+03 / yc7h14+h<=>xc7h13-z+h2 3.460e+05 2.500 2.492e+03 rev/ 9.749e+06 2.060 2.005e+04 / yc7h14+h<=>yc7h13-y2+h2 2.650e+06 2.200 0.000e+00 rev/ 1.836e+07 2.140 2.229e+04 / yc7h14+h<=>yc7h13-x2+h2 1.330e+06 2.540 6.756e+03 rev/ 6.176e+04 2.540 1.108e+04 / yc7h14+oh<=>xc7h13-z+h2o 6.240e+06 2.000 -2.980e+02 rev/ 7.613e+08 1.560 3.242e+04 / yc7h14+oh<=>yc7h13-y2+h2o 6.140e+02 3.200 -3.500e+03 rev/ 1.842e+04 3.140 3.394e+04 / yc7h14+oh<=>yc7h13-x2+h2o 1.054e+10 0.970 1.586e+03 rev/ 2.119e+09 0.970 2.106e+04 / xc7h13-x1<=>c3h4-a+ic4h9 8.708e+21 -2.430 5.953e+04 rev/ 1.000e+11 0.000 1.060e+04 / xc7h13-z<=>acc6h10+ch3 2.837e+16 -0.830 4.123e+04 rev/ 1.000e+11 0.000 1.060e+04 / xc7h13-z+ho2<=>xc7h13o-z+oh 9.640e+12 0.000 0.000e+00 rev/ 5.406e+14 -0.730 1.538e+04 / xc7h13-z+ch3o2<=>xc7h13o-z+ch3o 9.640e+12 0.000 0.000e+00 rev/ 5.280e+16 -1.310 2.014e+04 / xc7h13-z+c2h5o2<=>xc7h13o-z+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 3.456e+13 -0.380 1.798e+04 / xc7h13-y2<=>ic4h8+c3h5-t 6.321e+18 -1.800 4.360e+04 rev/ 5.000e+10 0.000 8.800e+03 / xc7h13-x2<=>c3h6+ic4h7 2.096e+16 -1.090 1.782e+04 rev/ 7.500e+10 0.000 9.200e+03 / yc7h13-y2+ho2<=>yc7h13o-y2+oh 9.640e+12 0.000 0.000e+00 rev/ 2.111e+15 -0.970 1.700e+04 / yc7h13-y2+ch3o2<=>yc7h13o-y2+ch3o 9.640e+12 0.000 0.000e+00 rev/ 2.062e+17 -1.550 2.176e+04 / yc7h13-y2+c2h5o2<=>yc7h13o-y2+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 1.350e+14 -0.620 1.961e+04 / yc7h13-x2<=>c3h6+ic4h7-i1 1.226e+18 -1.370 4.384e+04 rev/ 7.500e+10 0.000 9.200e+03 / xc7h13o-z<=>ic3h7cho+c3h5-t 7.521e+21 -2.400 3.019e+04 rev/ 1.000e+11 0.000 1.190e+04 / yc7h13o-y2<=>ch3coch3+ic4h7-i1 1.310e+18 -1.300 2.942e+04 rev/ 1.000e+11 0.000 1.190e+04 / yc7h15o2<=>yc7h15+o2 3.408e+23 -2.448 3.721e+04 rev/ 3.000e+12 0.000 0.000e+00 / yc7h15+yc7h15o2<=>yc7h15o+yc7h15o 7.000e+12 0.000 -1.000e+03 rev/ 5.358e+16 -0.996 3.291e+04 / yc7h15o2+ho2<=>yc7h15o2h+o2 1.750e+10 0.000 -3.275e+03 rev/ 3.785e+13 -0.793 3.361e+04 / yc7h15o2+h2o2<=>yc7h15o2h+ho2 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / yc7h15o2+ch3o2<=>yc7h15o+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / yc7h15o2+yc7h15o2<=>o2+yc7h15o+yc7h15o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / yc7h15o2h<=>yc7h15o+oh 1.000e+16 0.000 3.900e+04 rev/ 1.403e+07 1.915 -5.702e+03 / yc7h15o<=>ic4h9+ch3coch3 8.190e+23 -2.926 1.802e+04 rev/ 1.000e+11 0.000 1.190e+04 / yc7h15o2<=>yc7h14ooh-z 2.000e+11 0.000 2.685e+04 rev/ 2.114e+10 -0.108 1.384e+04 / yc7h15o2<=>yc7h14ooh-y2 1.250e+10 0.000 1.910e+04 rev/ 2.789e+08 0.061 7.940e+03 / yc7h15o2<=>yc7h14ooh-x2 9.376e+09 0.000 2.235e+04 rev/ 2.277e+10 -0.508 6.890e+03 / yc7h15o2<=>xc7h14+ho2 1.015e+43 -9.410 4.149e+04 rev/ 3.387e+32 -7.264 1.666e+04 / yc7h15o2<=>yc7h14+ho2 5.044e+38 -8.110 4.049e+04 rev/ 7.817e+27 -5.783 1.826e+04 / yc7h14ooh-y2<=>y-yc7h14o+oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / yc7h14ooh-x2<=>x-y2c7h14o+oh 9.375e+09 0.000 7.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / yc7h14ooh-z<=>yc7h14+ho2 9.834e+20 -2.435 1.873e+04 rev/ 1.442e+11 0.000 9.512e+03 / yc7h14ooh-y2<=>oh+ch3coch3+ic4h8 5.000e+13 0.000 2.550e+04 rev/ 0.000e+00 0.000 0.000e+00 / yc7h14ooh-y2o2<=>yc7h14ooh-y2+o2 1.203e+24 -2.526 3.748e+04 rev/ 3.000e+12 0.000 0.000e+00 / yc7h14ooh-x2o2<=>yc7h14ooh-x2+o2 1.608e+20 -1.641 3.571e+04 rev/ 4.520e+12 0.000 0.000e+00 / x-y2c7h14o+oh<=>ic4h8+ch3chcho+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / y-yc7h14o+oh<=>ch3coch3+ic4h7+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / x-y2c7h14o+oh<=>ch3coch3+ic4h7+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / y-yc7h14o+oh<=>ch3coch3+ic4h7-i1+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / x-y2c7h14o+ho2<=>ic4h8+ch3chcho+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / y-yc7h14o+ho2<=>ch3coch3+ic4h7+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / x-y2c7h14o+ho2<=>ch3coch3+ic4h7+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / y-yc7h14o+ho2<=>ch3coch3+ic4h7-i1+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / acc6h10+oh<=>acc6h9-a+h2o 3.120e+06 2.000 -2.980e+02 rev/ 5.491e+08 1.390 3.246e+04 / acc6h10+oh<=>acc6h9-d+h2o 3.120e+06 2.000 -2.980e+02 rev/ 5.491e+08 1.390 3.246e+04 / acc6h10+ho2<=>acc6h9-a+h2o2 9.640e+03 2.600 1.391e+04 rev/ 1.007e+07 1.660 1.521e+04 / acc6h10+ho2<=>acc6h9-d+h2o2 9.640e+03 2.600 1.391e+04 rev/ 1.007e+07 1.660 1.521e+04 / acc6h10+ch3o2<=>acc6h9-a+ch3o2h 9.640e+03 2.600 1.391e+04 rev/ 4.139e+07 1.490 1.449e+04 / acc6h10+ch3o2<=>acc6h9-d+ch3o2h 9.640e+03 2.600 1.391e+04 rev/ 4.139e+07 1.490 1.449e+04 / acc6h9-a<=>c3h4-a+c3h5-s 1.194e+24 -2.850 7.431e+04 rev/ 1.000e+11 0.000 9.200e+03 / acc6h9-d+ho2<=>ic3h5cho+c2h3+oh 8.910e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / neoc5h11<=>ic4h8+ch3 8.466e+17 -1.111 3.293e+04 rev/ 1.300e+03 2.480 8.520e+03 / neoc5h11+ho2<=>neoc5h11o+oh 7.000e+12 0.000 -1.000e+03 rev/ 1.447e+11 0.802 2.490e+04 / neoc5h11+ch3o2<=>neoc5h11o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 9.052e+09 1.101 2.914e+04 / neoc5h11o2<=>neoc5h11+o2 9.747e+20 -2.437 3.453e+04 rev/ 1.990e+17 -2.100 0.000e+00 / neoc5h11+neoc5h11o2<=>neoc5h11o+neoc5h11o 7.000e+12 0.000 -1.000e+03 rev/ 4.468e+09 1.149 2.861e+04 / neoc5h11o2+ho2<=>neoc5h11o2h+o2 1.750e+10 0.000 -3.275e+03 rev/ 3.841e+13 -0.795 3.362e+04 / neoc5h11o2+h2o2<=>neoc5h11o2h+ho2 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / neoc5h11o2+ch3o2<=>neoc5h11o+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / neoc5h11o2+neoc5h11o2<=>o2+neoc5h11o+neoc5h11o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / neoc5h11o2h<=>neoc5h11o+oh 1.500e+16 0.000 4.250e+04 rev/ 2.885e+07 1.935 -3.022e+03 / neoc5h11o<=>ch2o+tc4h9 2.649e+25 -3.248 2.393e+04 rev/ 2.000e+11 0.000 1.190e+04 / neoc5h11o2<=>neoc5h10ooh 1.125e+11 0.000 2.440e+04 rev/ 9.144e+10 -0.509 8.950e+03 / neoc5h10ooh<=>oh+ch2o+ic4h8 3.011e+17 -1.170 2.995e+04 rev/ 0.000e+00 0.000 0.000e+00 / neoc5h10ooh<=>ic4h7ooh+ch3 9.027e+21 -2.341 3.283e+04 rev/ 1.250e+11 0.000 1.010e+04 / neoc5h10ooh-o2<=>neoc5h10ooh+o2 1.366e+25 -3.736 3.570e+04 rev/ 1.990e+17 -2.100 0.000e+00 / neoc5h10ooh-o2<=>neoc5h9q2-n 2.500e+10 0.000 2.140e+04 rev/ 4.436e+10 -0.513 1.096e+04 / neoc5h9q2-n<=>neoc5ket+oh 9.000e+14 0.000 1.500e+03 rev/ 1.668e+09 1.580 3.188e+04 / neoc5ket<=>neoc5ketox+oh 1.500e+16 0.000 4.200e+04 rev/ 2.009e+09 1.510 -4.125e+03 / neoc5ketox<=>tc3h6cho+ch2o 2.475e+21 -2.540 1.583e+04 rev/ 1.000e+11 0.000 1.190e+04 / neoc6h12<=>ch3+cc5h9-b 1.532e+23 -2.199 7.419e+04 rev/ 1.000e+13 0.000 0.000e+00 / neoc6h12+oh<=>neoc5h11+ch2o 1.000e+11 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / neoc6h12+o<=>neoc5h11+hco 1.000e+11 0.000 -1.050e+03 rev/ 0.000e+00 0.000 0.000e+00 / !neoc6kethf<=>ch2o+tc3h6ch2cho+oh 1.000e+16 0.000 3.900e+04 tc4h9cho+ho2<=>tc4h9co+h2o2 1.000e+12 0.000 1.192e+04 rev/ 3.852e+12 -0.330 1.200e+04 / tc4h9cho+ch3<=>tc4h9co+ch4 3.980e+12 0.000 8.700e+03 rev/ 1.558e+13 0.000 2.557e+04 / tc4h9cho+o<=>tc4h9co+oh 7.180e+12 0.000 1.389e+03 rev/ 4.726e+11 0.000 1.568e+04 / tc4h9cho+o2<=>tc4h9co+ho2 4.000e+13 0.000 3.760e+04 rev/ 1.089e+11 0.320 -3.492e+03 / tc4h9cho+oh<=>tc4h9co+h2o 2.690e+10 0.760 -3.400e+02 rev/ 1.746e+10 0.760 3.120e+04 / tc4h9co<=>tc4h9+co 2.517e+23 -2.881 1.349e+04 rev/ 1.500e+11 0.000 4.810e+03 / tc4h9cho+oh<=>tc4h8cho+h2o 2.290e+08 1.530 7.750e+02 rev/ 7.775e+06 1.520 2.021e+04 / tc4h9cho+h<=>tc4h8cho+h2 1.810e+06 2.540 6.756e+03 rev/ 1.419e+04 2.530 1.104e+04 / tc4h9cho+ho2<=>tc4h8cho+h2o2 3.010e+04 2.550 1.550e+04 rev/ 6.067e+03 2.220 3.472e+03 / tc4h9cho+ch3<=>tc4h8cho+ch4 1.360e+00 3.650 7.154e+03 rev/ 2.786e-01 3.640 1.191e+04 / tc4h9cho+ch3o<=>tc4h8cho+ch3oh 4.820e+11 0.000 7.313e+03 rev/ 1.822e+09 0.020 9.863e+03 / tc4h9cho+ch3o2<=>tc4h8cho+ch3o2h 3.010e+04 2.550 1.550e+04 rev/ 2.493e+04 2.040 2.752e+03 / c4h7cho2-2+oh<=>c4h7co2-2+h2o 3.370e+12 0.000 -6.160e+02 rev/ 5.586e+12 0.020 3.680e+04 / c4h7cho2-2+oh<=>c4h6cho2-24+h2o 8.420e+11 0.000 -7.810e+02 rev/ 1.779e+14 -0.640 3.198e+04 / c4h7cho2-2+oh<=>ch3cho+ch3chcho 1.000e+11 0.000 0.000e+00 rev/ 8.906e+07 2.140 1.348e+04 / c4h7cho2-2+ho2<=>c4h7co2-2+h2o2 1.000e+12 0.000 1.192e+04 rev/ 9.840e+12 -0.310 1.788e+04 / c4h7cho2-2+ho2<=>c4h6cho2-24+h2o2 1.000e+04 2.550 1.550e+04 rev/ 1.254e+07 1.580 1.680e+04 / c4h7cho2-2+ho2<=>ch3cho+c2h3cho+oh 6.030e+09 0.000 7.949e+03 rev/ 1.000e+00 0.000 0.000e+00 / c4h7cho2-2+ch3o2<=>c4h7co2-2+ch3o2h 2.800e+12 0.000 1.360e+04 rev/ 1.132e+14 -0.480 1.884e+04 / c4h7cho2-2+ch3o2<=>c4h6cho2-24+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 1.226e+08 1.400 1.707e+04 / c4h7cho2-2+ch3o2<=>ch3cho+ch3chco+ch3o 3.970e+11 0.000 1.705e+04 rev/ 1.000e+00 0.000 0.000e+00 / c4h7co2-2<=>c4h72-2+co 4.683e+20 -3.441 4.136e+04 rev/ 1.500e+11 0.000 4.810e+03 / c4h6cho2-24<=>ch2cchch3+hco 2.852e+14 -1.580 6.054e+04 rev/ 8.000e+10 0.000 1.160e+04 / ic3h6chcho+oh<=>ic3h6chco+h2o 3.370e+12 0.000 -6.160e+02 rev/ 5.784e+12 0.010 3.681e+04 / ic3h6chcho+oh<=>tc3h6cho+ch2o 1.000e+11 0.000 0.000e+00 rev/ 1.394e+11 0.110 1.608e+04 / pc7h15<=>tc4h9+c3h6 2.308e+23 -2.801 2.934e+04 rev/ 1.500e+11 0.000 7.200e+03 / pc7h15<=>pc7h14+h 1.528e+13 0.097 3.681e+04 rev/ 2.600e+13 0.000 1.200e+03 / pc7h15<=>oc7h14+h 1.281e+13 -0.086 3.626e+04 rev/ 1.000e+13 0.000 2.500e+03 / pc7h15+o2<=>oc7h14+ho2 3.000e-29 0.000 3.000e+03 rev/ 2.000e-29 0.000 1.750e+04 / pc7h15+o2<=>pc7h14+ho2 4.500e-29 0.000 5.020e+03 rev/ 2.000e-29 0.000 1.750e+04 / pc7h15+ho2<=>pc7h15o+oh 7.000e+12 0.000 -1.000e+03 rev/ 3.083e+17 -1.147 2.786e+04 / pc7h15+ch3o2<=>pc7h15o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 1.928e+16 -0.849 3.210e+04 / pc7h14<=>tc4h9+c3h5-a 1.861e+27 -3.388 7.428e+04 rev/ 7.220e+14 -0.750 -1.310e+02 / oc7h14<=>cc6h11-b+ch3 3.087e+24 -2.516 7.410e+04 rev/ 1.020e+14 -0.320 -1.310e+02 / oc7h14+oh<=>c2h5cho+tc4h9 2.000e+10 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / oc7h14+oh<=>neoc5h11+ch3cho 2.000e+10 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc7h14+oh<=>neoc5h11+ch3cho 2.000e+10 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / oc7h14+o<=>tc4h9+hco+c2h4 2.000e+10 0.000 -1.050e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc7h14+o<=>ch2o+neoc6h12 2.000e+10 0.000 -1.050e+03 rev/ 0.000e+00 0.000 0.000e+00 / oc7h14+h<=>oc7h13-n+h2 1.995e+06 2.540 6.756e+03 rev/ 3.105e+04 2.540 1.112e+04 / oc7h14+oh<=>oc7h13-n+h2o 1.581e+10 0.970 1.586e+03 rev/ 1.065e+09 0.970 2.110e+04 / oc7h13-n<=>ic4h8+c3h5-s 3.475e+21 -2.390 4.467e+04 rev/ 1.000e+11 0.000 1.060e+04 / pc7h15o2<=>pc7h15+o2 2.759e+22 -2.386 3.811e+04 rev/ 1.250e+12 0.000 0.000e+00 / pc7h15+pc7h15o2<=>pc7h15o+pc7h15o 7.000e+12 0.000 -1.000e+03 rev/ 4.500e+15 -0.701 3.095e+04 / pc7h15o2+ho2<=>pc7h15o2h+o2 1.750e+10 0.000 -3.275e+03 rev/ 4.527e+13 -0.816 3.364e+04 / pc7h15o2+h2o2<=>pc7h15o2h+ho2 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / pc7h15o2+ch3o2<=>pc7h15o+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc7h15o2+pc7h15o2<=>o2+pc7h15o+pc7h15o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / pc7h15o2h<=>pc7h15o+oh 1.000e+16 0.000 3.900e+04 rev/ 7.714e+06 2.055 -7.162e+03 / pc7h15o<=>ch3cho+neoc5h11 7.500e+17 -1.279 1.887e+04 rev/ 5.000e+10 0.000 1.290e+04 / pc7h15o2<=>oc7h14+ho2 5.044e+38 -8.110 4.049e+04 rev/ 3.736e+28 -5.710 1.749e+04 / pc7h15o2<=>pc7h14+ho2 5.075e+42 -9.410 4.149e+04 rev/ 8.197e+32 -7.193 1.664e+04 / ic8h18<=>ac8h17+h 5.748e+17 -0.360 1.012e+05 rev/ 1.000e+14 0.000 0.000e+00 / ic8h18<=>bc8h17+h 3.299e+18 -0.721 9.873e+04 rev/ 1.000e+14 0.000 0.000e+00 / ic8h18<=>cc8h17+h 1.146e+19 -0.941 9.543e+04 rev/ 1.000e+14 0.000 0.000e+00 / ic8h18<=>dc8h17+h 1.919e+17 -0.360 1.004e+05 rev/ 1.000e+14 0.000 0.000e+00 / ic8h18<=>yc7h15+ch3 1.635e+27 -2.794 8.393e+04 rev/ 1.630e+13 0.000 -5.960e+02 / ic8h18<=>pc7h15+ch3 1.376e+26 -2.591 8.586e+04 rev/ 1.930e+14 -0.320 0.000e+00 / ic8h18<=>tc4h9+ic4h9 7.828e+29 -3.925 8.415e+04 rev/ 3.590e+14 -0.750 0.000e+00 / ic8h18<=>neoc5h11+ic3h7 2.455e+23 -2.013 8.340e+04 rev/ 3.590e+14 -0.750 0.000e+00 / ic8h18+h<=>ac8h17+h2 7.341e+05 2.768 8.147e+03 rev/ 5.100e+01 3.404 1.048e+04 / ic8h18+h<=>bc8h17+h2 5.736e+05 2.491 4.124e+03 rev/ 6.942e+00 3.488 8.954e+03 / ic8h18+h<=>cc8h17+h2 6.020e+05 2.400 2.583e+03 rev/ 2.097e+00 3.617 1.071e+04 / ic8h18+h<=>dc8h17+h2 1.880e+05 2.750 6.280e+03 rev/ 3.911e+01 3.386 9.417e+03 / ic8h18+o<=>ac8h17+oh 8.550e+03 3.050 3.123e+03 rev/ 3.118e-01 3.666 4.048e+03 / ic8h18+o<=>bc8h17+oh 4.770e+04 2.710 2.106e+03 rev/ 3.030e-01 3.687 5.524e+03 / ic8h18+o<=>cc8h17+oh 3.830e+05 2.410 1.140e+03 rev/ 7.003e-01 3.607 7.858e+03 / ic8h18+o<=>dc8h17+oh 2.853e+05 2.500 3.645e+03 rev/ 3.116e+01 3.116 5.370e+03 / ic8h18+oh<=>ac8h17+h2o 2.630e+07 1.800 1.431e+03 ic8h18+oh<=>bc8h17+h2o 9.000e+05 2.000 -1.133e+03 rev/ 1.159e+02 2.891 1.859e+04 / ic8h18+oh<=>cc8h17+h2o 1.700e+06 1.900 -1.450e+03 rev/ 6.301e+01 3.011 2.157e+04 / ic8h18+oh<=>dc8h17+h2o 1.780e+07 1.800 1.431e+03 rev/ 3.940e+04 2.330 1.946e+04 / ic8h18+ch3<=>ac8h17+ch4 4.257e-14 8.060 4.154e+03 rev/ 2.699e-15 8.250 8.031e+03 / ic8h18+ch3<=>bc8h17+ch4 2.705e+04 2.260 7.287e+03 rev/ 2.988e+02 2.811 1.366e+04 / ic8h18+ch3<=>cc8h17+ch4 6.010e-10 6.360 8.930e+02 rev/ 1.911e-12 7.131 1.056e+04 / ic8h18+ch3<=>dc8h17+ch4 1.470e-01 3.870 6.808e+03 rev/ 2.791e-02 4.060 1.148e+04 / ic8h18+ho2<=>ac8h17+h2o2 61.2 3.59 17160 ic8h18+ho2<=>bc8h17+h2o2 63.2 3.37 13720 ic8h18+ho2<=>cc8h17+h2o2 433.2 3.01 12090 ic8h18+ho2<=>dc8h17+h2o2 40.8 3.59 17160 ic8h18+ch3o<=>ac8h17+ch3oh 4.740e+11 0.000 7.000e+03 rev/ 1.200e+10 0.000 9.200e+03 / ic8h18+ch3o<=>bc8h17+ch3oh 1.095e+11 0.000 5.000e+03 rev/ 8.900e+09 0.000 7.200e+03 / ic8h18+ch3o<=>cc8h17+ch3oh 1.900e+10 0.000 2.800e+03 rev/ 1.000e+10 0.000 5.200e+03 / ic8h18+ch3o<=>dc8h17+ch3oh 3.200e+11 0.000 7.000e+03 rev/ 1.200e+10 0.000 9.200e+03 / ic8h18+o2<=>ac8h17+ho2 6.300e+13 0.000 5.076e+04 rev/ 2.296e+10 0.288 -1.592e+03 / ic8h18+o2<=>bc8h17+ho2 1.400e+13 0.000 4.821e+04 rev/ 8.889e+08 0.649 -1.649e+03 / ic8h18+o2<=>cc8h17+ho2 7.000e+12 0.000 4.606e+04 rev/ 1.279e+08 0.869 -4.990e+02 / ic8h18+o2<=>dc8h17+ho2 4.200e+13 0.000 5.076e+04 rev/ 4.584e+10 0.288 -7.920e+02 / ic8h18+c2h5<=>ac8h17+c2h6 1.500e+11 0.000 1.340e+04 rev/ 3.200e+11 0.000 1.230e+04 / ic8h18+c2h5<=>bc8h17+c2h6 5.000e+10 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / ic8h18+c2h5<=>cc8h17+c2h6 1.000e+11 0.000 7.900e+03 rev/ 3.000e+11 0.000 2.100e+04 / ic8h18+c2h5<=>dc8h17+c2h6 1.000e+11 0.000 1.340e+04 rev/ 3.200e+11 0.000 1.230e+04 / ic8h18+c2h3<=>ac8h17+c2h4 1.500e+12 0.000 1.800e+04 rev/ 2.570e+12 0.000 2.540e+04 / ic8h18+c2h3<=>bc8h17+c2h4 4.000e+11 0.000 1.680e+04 rev/ 2.000e+12 0.000 2.420e+04 / ic8h18+c2h3<=>cc8h17+c2h4 2.000e+11 0.000 1.430e+04 rev/ 2.500e+12 0.000 2.300e+04 / ic8h18+c2h3<=>dc8h17+c2h4 1.000e+12 0.000 1.800e+04 rev/ 2.570e+12 0.000 2.540e+04 / xc7h14+ch3<=>ac8h17 1.300e+03 2.500 8.520e+03 rev/ 1.254e+13 0.30 2.832e+04 / ic4h8+ic4h9<=>ac8h17 6.090e+02 2.48 8.520e+03 rev/ 2.458e+14 -0.14 2.678e+04 / yc7h14+ch3<=>bc8h17 1.300e+03 2.500 8.520e+03 rev/ 4.702e+12 0.48 2.821e+04 / oc7h14+ch3<=>bc8h17 1.300e+03 2.500 8.520e+03 rev/ 3.598e+10 0.86 2.941e+04 / ic4h8+tc4h9<=>cc8h17 6.090e+02 2.48 6.130e+03 rev/ 6.245e+14 -0.14 2.589e+04 / pc7h14+ch3<=>dc8h17 1.300e+03 2.500 8.520e+03 rev/ 2.836e+11 0.69 2.957e+04 / c3h6+neoc5h11<=>dc8h17 4.000e+02 2.500 8.520e+03 rev/ 3.734e+08 1.57 2.702e+04 / bc8h17<=>ic8h16+h 1.843e+12 0.376 3.524e+04 rev/ 6.250e+11 0.500 2.620e+03 / cc8h17<=>ic8h16+h 8.995e+11 0.596 3.715e+04 rev/ 1.060e+12 0.500 1.230e+03 / cc8h17<=>jc8h16+h 4.213e+11 0.777 3.669e+04 rev/ 1.060e+12 0.500 1.230e+03 / cc8h17+o2<=>ic8h16+ho2 3.000e-19 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / cc8h17+o2<=>jc8h16+ho2 1.500e-19 0.000 4.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / dc8h17<=>jc8h16+h 1.484e+13 0.196 3.309e+04 rev/ 6.250e+11 0.500 2.620e+03 / ac8h17<=>dc8h17 1.390e+11 0.000 1.540e+04 rev/ 4.163e+11 0.000 1.620e+04 / ac8h17<=>cc8h17 3.708e+11 0.000 2.040e+04 rev/ 1.859e+10 0.581 2.619e+04 / dc8h17+o2<=>jc8h16+ho2 2.000e-18 0.000 5.000e+03 rev/ 2.000e-19 0.000 1.750e+04 / ic8h16+h<=>ic8h15+h2 3.700e+13 0.000 3.900e+03 rev/ 3.424e+12 0.029 1.957e+04 / jc8h16+h<=>ic8h15+h2 3.700e+13 0.000 3.900e+03 rev/ 1.603e+12 0.210 1.911e+04 / ic8h16+o<=>ic8h15+oh 3.700e+13 0.000 3.900e+03 rev/ 1.797e+12 0.009 1.816e+04 / jc8h16+o<=>ic8h15+oh 3.700e+13 0.000 3.900e+03 rev/ 8.417e+11 0.190 1.770e+04 / ic8h16+oh<=>ic8h15+h2o 3.700e+13 0.000 3.900e+03 rev/ 3.643e+13 -0.077 3.446e+04 / jc8h16+oh<=>ic8h15+h2o 3.700e+13 0.000 3.900e+03 rev/ 1.706e+13 0.104 3.400e+04 / ic8h15<=>ic4h8+ic4h7-i1 8.986e+24 -2.992 5.360e+04 rev/ 1.000e+11 0.000 1.060e+04 / ic8h16+ch3<=>ic8h15+ch4 2.000e+12 0.000 7.300e+03 rev/ 1.689e+14 -0.417 2.451e+04 / jc8h16+ch3<=>ic8h15+ch4 2.000e+12 0.000 7.300e+03 rev/ 7.911e+13 -0.236 2.405e+04 / ic8h16+oh<=>ch3coch3+neoc5h11 1.000e+11 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / jc8h16+oh<=>ch2o+pc7h15 1.000e+11 0.000 -4.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / jc8h16+o<=>ch2o+pc7h14 1.000e+11 0.000 -1.050e+03 rev/ 0.000e+00 0.000 0.000e+00 / ic8h18+ch3o2<=>ac8h17+ch3o2h 2.079 3.97 18280 ic8h18+ch3o2<=>bc8h17+ch3o2h 10.165 3.58 14810 ic8h18+ch3o2<=>cc8h17+ch3o2h 136.6 3.12 13190 ic8h18+ch3o2<=>dc8h17+ch3o2h 1.386 3.97 18280 ic8h18+ac8h17o2<=>ac8h17+ac8h17o2h 1.814e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+bc8h17o2<=>ac8h17+bc8h17o2h 1.814e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+cc8h17o2<=>ac8h17+cc8h17o2h 1.814e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+dc8h17o2<=>ac8h17+dc8h17o2h 1.814e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+ac8h17o2<=>bc8h17+ac8h17o2h 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+bc8h17o2<=>bc8h17+bc8h17o2h 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+cc8h17o2<=>bc8h17+cc8h17o2h 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+dc8h17o2<=>bc8h17+dc8h17o2h 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+ac8h17o2<=>cc8h17+ac8h17o2h 2.000e+12 0.000 1.600e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+bc8h17o2<=>cc8h17+bc8h17o2h 2.000e+12 0.000 1.600e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+cc8h17o2<=>cc8h17+cc8h17o2h 2.000e+12 0.000 1.600e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+dc8h17o2<=>cc8h17+dc8h17o2h 2.000e+12 0.000 1.600e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+ac8h17o2<=>dc8h17+ac8h17o2h 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+bc8h17o2<=>dc8h17+bc8h17o2h 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+cc8h17o2<=>dc8h17+cc8h17o2h 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+dc8h17o2<=>dc8h17+dc8h17o2h 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / ic8h18+o2cho<=>ac8h17+ho2cho 2.520e+13 0.000 2.044e+04 rev/ 5.581e+02 2.300 3.062e+03 / ic8h18+o2cho<=>bc8h17+ho2cho 5.600e+12 0.000 1.769e+04 rev/ 2.160e+01 2.660 2.806e+03 / ic8h18+o2cho<=>cc8h17+ho2cho 2.800e+12 0.000 1.601e+04 rev/ 3.109e+00 2.880 4.633e+03 / ic8h18+o2cho<=>dc8h17+ho2cho 1.680e+13 0.000 2.044e+04 rev/ 1.114e+03 2.300 3.862e+03 / ic8h18+ic4h6oh<=>ac8h17+ic4h7oh 7.050e+02 3.300 1.984e+04 rev/ 2.768e-01 3.903 6.526e+03 / ic8h18+ic4h6oh<=>bc8h17+ic4h7oh 1.568e+02 3.300 1.817e+04 rev/ 1.072e-02 4.264 7.350e+03 / ic8h18+ic4h6oh<=>cc8h17+ic4h7oh 8.440e+01 3.300 1.717e+04 rev/ 1.661e-03 4.484 9.648e+03 / ic8h18+ic4h6oh<=>dc8h17+ic4h7oh 4.700e+02 3.300 1.984e+04 rev/ 5.526e-01 3.903 7.326e+03 / ac8h17o2<=>ac8h17+o2 3.465e+20 -1.653 3.572e+04 rev/ 4.520e+12 0.000 0.000e+00 / bc8h17o2<=>bc8h17+o2 1.046e+23 -2.323 3.884e+04 rev/ 7.540e+12 0.000 0.000e+00 / cc8h17o2<=>cc8h17+o2 3.620e+24 -2.560 3.601e+04 rev/ 1.410e+13 0.000 0.000e+00 / dc8h17o2<=>dc8h17+o2 3.465e+20 -1.653 3.492e+04 rev/ 4.520e+12 0.000 0.000e+00 / ac8h17+ac8h17o2<=>ac8h17o+ac8h17o 7.000e+12 0.000 -1.000e+03 rev/ 6.479e+13 -0.155 2.936e+04 / ac8h17+bc8h17o2<=>ac8h17o+bc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 4.991e+13 -0.123 2.823e+04 / ac8h17+cc8h17o2<=>ac8h17o+cc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 4.354e+13 -0.163 3.017e+04 / ac8h17+dc8h17o2<=>ac8h17o+dc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 3.252e+13 -0.155 2.936e+04 / bc8h17+ac8h17o2<=>bc8h17o+ac8h17o 7.000e+12 0.000 -1.000e+03 rev/ 9.035e+15 -0.794 3.135e+04 / bc8h17+bc8h17o2<=>bc8h17o+bc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 6.960e+15 -0.761 3.022e+04 / bc8h17+cc8h17o2<=>bc8h17o+cc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 6.071e+15 -0.801 3.216e+04 / bc8h17+dc8h17o2<=>bc8h17o+dc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 4.535e+15 -0.794 3.135e+04 / cc8h17+ac8h17o2<=>cc8h17o+ac8h17o 7.000e+12 0.000 -1.000e+03 rev/ 1.458e+17 -1.070 3.046e+04 / cc8h17+bc8h17o2<=>cc8h17o+bc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 1.123e+17 -1.038 2.933e+04 / cc8h17+cc8h17o2<=>cc8h17o+cc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 9.797e+16 -1.078 3.127e+04 / cc8h17+dc8h17o2<=>cc8h17o+dc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 7.317e+16 -1.070 3.046e+04 / dc8h17+ac8h17o2<=>dc8h17o+ac8h17o 7.000e+12 0.000 -1.000e+03 rev/ 3.252e+13 -0.155 2.856e+04 / dc8h17+bc8h17o2<=>dc8h17o+bc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 2.505e+13 -0.123 2.743e+04 / dc8h17+cc8h17o2<=>dc8h17o+cc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 2.185e+13 -0.163 2.937e+04 / dc8h17+dc8h17o2<=>dc8h17o+dc8h17o 7.000e+12 0.000 -1.000e+03 rev/ 1.632e+13 -0.155 2.856e+04 / ac8h17+ho2<=>ac8h17o+oh 7.000e+12 0.000 -1.000e+03 rev/ 2.180e+15 -0.508 2.588e+04 / bc8h17+ho2<=>bc8h17o+oh 7.000e+12 0.000 -1.000e+03 rev/ 3.040e+17 -1.146 2.787e+04 / cc8h17+ho2<=>cc8h17o+oh 7.000e+12 0.000 -1.000e+03 rev/ 4.906e+18 -1.423 2.698e+04 / dc8h17+ho2<=>dc8h17o+oh 7.000e+12 0.000 -1.000e+03 rev/ 1.094e+15 -0.508 2.508e+04 / ac8h17+ch3o2<=>ac8h17o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 1.364e+14 -0.209 3.012e+04 / bc8h17+ch3o2<=>bc8h17o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 1.902e+16 -0.847 3.211e+04 / cc8h17+ch3o2<=>cc8h17o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 3.069e+17 -1.124 3.122e+04 / dc8h17+ch3o2<=>dc8h17o+ch3o 7.000e+12 0.000 -1.000e+03 rev/ 6.844e+13 -0.209 2.932e+04 / ac8h17o2+ho2<=>ac8h17o2h+o2 1.750e+10 0.000 -3.275e+03 rev/ 4.067e+13 -0.803 3.362e+04 / bc8h17o2+ho2<=>bc8h17o2h+o2 1.750e+10 0.000 -3.275e+03 rev/ 3.746e+13 -0.791 3.361e+04 / cc8h17o2+ho2<=>cc8h17o2h+o2 1.750e+10 0.000 -3.275e+03 rev/ 3.752e+13 -0.792 3.361e+04 / dc8h17o2+ho2<=>dc8h17o2h+o2 1.750e+10 0.000 -3.275e+03 rev/ 4.068e+13 -0.803 3.362e+04 / h2o2+ac8h17o2<=>ho2+ac8h17o2h 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / h2o2+bc8h17o2<=>ho2+bc8h17o2h 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / h2o2+cc8h17o2<=>ho2+cc8h17o2h 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / h2o2+dc8h17o2<=>ho2+dc8h17o2h 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / ac8h17o2+ch3o2<=>ac8h17o+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / bc8h17o2+ch3o2<=>bc8h17o+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / cc8h17o2+ch3o2<=>cc8h17o+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / dc8h17o2+ch3o2<=>dc8h17o+ch3o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ac8h17o2+ac8h17o2<=>o2+ac8h17o+ac8h17o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ac8h17o2+bc8h17o2<=>ac8h17o+bc8h17o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ac8h17o2+cc8h17o2<=>ac8h17o+cc8h17o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ac8h17o2+dc8h17o2<=>ac8h17o+dc8h17o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / bc8h17o2+bc8h17o2<=>o2+bc8h17o+bc8h17o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / bc8h17o2+cc8h17o2<=>bc8h17o+cc8h17o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / bc8h17o2+dc8h17o2<=>bc8h17o+dc8h17o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / cc8h17o2+cc8h17o2<=>o2+cc8h17o+cc8h17o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / cc8h17o2+dc8h17o2<=>cc8h17o+dc8h17o+o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / dc8h17o2+dc8h17o2<=>o2+dc8h17o+dc8h17o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / ac8h17o2h<=>ac8h17o+oh 1.000e+16 0.000 3.900e+04 rev/ 1.748e+07 1.948 -6.742e+03 / bc8h17o2h<=>bc8h17o+oh 1.000e+16 0.000 3.900e+04 rev/ 1.462e+07 1.969 -7.862e+03 / cc8h17o2h<=>cc8h17o+oh 1.000e+16 0.000 3.900e+04 rev/ 1.273e+07 1.929 -5.922e+03 / dc8h17o2h<=>dc8h17o+oh 1.000e+16 0.000 3.900e+04 rev/ 8.771e+06 1.948 -6.742e+03 / ac8h17o<=>yc7h15+ch2o 5.689e+24 -3.208 1.914e+04 rev/ 1.000e+11 0.000 1.190e+04 / bc8h17o<=>tc4h9+ic3h7cho 3.115e+26 -3.578 1.598e+04 rev/ 1.000e+11 0.000 1.190e+04 / bc8h17o<=>ic3h7+tc4h9cho 3.327e+23 -2.891 1.847e+04 rev/ 6.250e+10 0.000 1.290e+04 / cc8h17o<=>neoc5h11+ch3coch3 1.206e+20 -1.671 1.234e+04 rev/ 1.000e+11 0.000 1.190e+04 / dc8h17o<=>pc7h15+ch2o 6.076e+22 -2.685 2.047e+04 rev/ 1.000e+11 0.000 1.190e+04 / ac8h17o2<=>ac8h16ooh-a 7.500e+10 0.000 2.400e+04 ac8h17o2<=>ac8h16ooh-b 2.500e+10 0.000 2.045e+04 ac8h17o2<=>ac8h16ooh-c 1.563e+09 0.000 1.665e+04 bc8h17o2<=>bc8h16ooh-a 1.125e+11 0.000 2.400e+04 bc8h17o2<=>bc8h16ooh-c 1.000e+11 0.000 2.370e+04 bc8h17o2<=>bc8h16ooh-d 7.500e+10 0.000 2.400e+04 cc8h17o2<=>cc8h16ooh-a 1.406e+10 0.000 2.195e+04 cc8h17o2<=>cc8h16ooh-b 2.000e+11 0.000 2.645e+04 cc8h17o2<=>cc8h16ooh-d 6.000e+11 0.000 2.900e+04 dc8h17o2<=>dc8h16ooh-b 2.500e+10 0.000 2.045e+04 dc8h17o2<=>dc8h16ooh-c 1.000e+11 0.000 2.370e+04 dc8h17o2<=>dc8h16ooh-d 3.750e+10 0.000 2.400e+04 bc8h17o2<=>ic8h16+ho2 8.530e+35 -7.220 4.149e+04 cc8h17o2<=>ic8h16+ho2 10.044e+38 -8.110 4.249e+04 cc8h17o2<=>jc8h16+ho2 2.015e+43 -9.410 4.349e+04 dc8h17o2<=>jc8h16+ho2 8.530e+35 -7.220 4.149e+04 ac8h16ooh-a<=>ic8eteraa+oh 3.000e+11 0.000 1.425e+04 rev/ 0.000e+00 0.000 0.000e+00 / ac8h16ooh-b<=>ic8eterab+oh 3.000e+11 0.000 1.425e+04 rev/ 0.000e+00 0.000 0.000e+00 / ac8h16ooh-c<=>ic8eterac+oh 27.375e+09 0.000 7.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / bc8h16ooh-a<=>ic8eterab+oh 3.000e+11 0.000 1.425e+04 rev/ 0.000e+00 0.000 0.000e+00 / bc8h16ooh-d<=>ic8eterbd+oh 3.000e+11 0.000 1.425e+04 rev/ 0.000e+00 0.000 0.000e+00 / cc8h16ooh-a<=>ic8eterac+oh 27.375e+09 0.000 7.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / dc8h16ooh-d<=>ic8eterdd+oh 3.000e+11 0.000 1.425e+04 rev/ 0.000e+00 0.000 0.000e+00 / dc8h16ooh-b<=>ic8eterbd+oh 3.000e+11 0.000 1.425e+04 rev/ 0.000e+00 0.000 0.000e+00 / bc8h16ooh-c<=>ic8h16+ho2 1.526e+20 -2.395 2.440e+04 rev/ 1.000e+11 0.000 1.290e+04 / cc8h16ooh-d<=>jc8h16+ho2 1.174e+22 -2.718 1.674e+04 rev/ 1.000e+11 0.000 9.600e+03 / cc8h16ooh-b<=>ic8h16+ho2 1.132e+21 -2.504 2.296e+04 rev/ 1.000e+11 0.000 1.290e+04 / dc8h16ooh-c<=>jc8h16+ho2 1.883e+18 -1.821 1.496e+04 rev/ 1.000e+11 0.000 9.600e+03 / ac8h16ooh-a<=>oh+ch2o+xc7h14 9.087e+17 -1.260 2.858e+04 rev/ 0.000e+00 0.000 0.000e+00 / ac8h16ooh-b<=>oh+ch2o+yc7h14 1.252e+17 -1.080 2.821e+04 rev/ 0.000e+00 0.000 0.000e+00 / bc8h16ooh-a<=>oh+ic3h7cho+ic4h8 3.118e+21 -2.430 2.633e+04 rev/ 0.000e+00 0.000 0.000e+00 / bc8h16ooh-d<=>oh+tc4h9cho+c3h6 1.293e+21 -2.200 3.297e+04 rev/ 0.000e+00 0.000 0.000e+00 / dc8h16ooh-b<=>oh+ch2o+oc7h14 1.120e+15 -0.460 3.093e+04 rev/ 0.000e+00 0.000 0.000e+00 / dc8h16ooh-d<=>oh+ch2o+pc7h14 8.013e+15 -0.650 3.089e+04 rev/ 0.000e+00 0.000 0.000e+00 / ac8h16ooh-a<=>ic4h7ooh+tc4h9 1.513e+24 -3.080 2.684e+04 rev/ 1.250e+11 0.000 1.230e+04 / dc8h16ooh-b<=>yc7h13ooh-x2+ch3 4.771e+17 -1.010 2.960e+04 rev/ 1.250e+11 0.000 1.360e+04 / dc8h16ooh-d<=>neoc5h11+ac3h5ooh 2.009e+22 -2.400 3.098e+04 rev/ 1.250e+11 0.000 9.200e+03 / ac8h16ooh-c<=>ic4h8+ic4h8o2h-t 5.567e+21 -2.400 2.712e+04 rev/ 1.250e+11 0.000 7.800e+03 / cc8h16ooh-a<=>ic4h8+tc4h8o2h-i 1.734e+23 -2.790 2.980e+04 rev/ 1.250e+11 0.000 1.060e+04 / ac8h16ooh-ao2<=>ac8h16ooh-a+o2 3.251e+20 -1.643 3.492e+04 rev/ 4.520e+12 0.000 0.000e+00 / ac8h16ooh-bo2<=>ac8h16ooh-b+o2 1.361e+23 -2.357 3.728e+04 rev/ 7.540e+12 0.000 0.000e+00 / ac8h16ooh-co2<=>ac8h16ooh-c+o2 3.258e+24 -2.544 3.670e+04 rev/ 1.410e+13 0.000 0.000e+00 / bc8h16ooh-co2<=>bc8h16ooh-c+o2 1.534e+24 -2.437 3.662e+04 rev/ 1.410e+13 0.000 0.000e+00 / bc8h16ooh-ao2<=>bc8h16ooh-a+o2 2.979e+20 -1.632 3.490e+04 rev/ 4.520e+12 0.000 0.000e+00 / bc8h16ooh-do2<=>bc8h16ooh-d+o2 2.980e+20 -1.632 3.490e+04 rev/ 4.520e+12 0.000 0.000e+00 / cc8h16ooh-bo2<=>cc8h16ooh-b+o2 1.106e+23 -2.328 3.806e+04 rev/ 7.540e+12 0.000 0.000e+00 / cc8h16ooh-ao2<=>cc8h16ooh-a+o2 3.355e+20 -1.647 3.572e+04 rev/ 4.520e+12 0.000 0.000e+00 / dc8h16ooh-co2<=>dc8h16ooh-c+o2 3.274e+24 -2.544 3.750e+04 rev/ 1.410e+13 0.000 0.000e+00 / dc8h16ooh-do2<=>dc8h16ooh-d+o2 1.632e+20 -1.643 3.572e+04 rev/ 4.520e+12 0.000 0.000e+00 / dc8h16ooh-bo2<=>dc8h16ooh-b+o2 1.362e+23 -2.357 3.808e+04 rev/ 7.540e+12 0.000 0.000e+00 / ac8h16ooh-ao2<=>ic8ketaa+oh 2.500e+10 0.000 2.100e+04 ac8h16ooh-bo2<=>ic8ketab+oh 2.500e+10 0.000 2.100e+04 ac8h16ooh-co2<=>ic8ketac+oh 3.125e+09 0.000 1.895e+04 bc8h16ooh-co2<=>ic8ketbc+oh 1.000e+11 0.000 2.345e+04 bc8h16ooh-ao2<=>ic8ketba+oh 1.250e+10 0.000 1.745e+04 bc8h16ooh-do2<=>ic8ketbd+oh 1.250e+10 0.000 1.745e+04 dc8h16ooh-do2<=>ic8ketdd+oh 2.500e+10 0.000 2.100e+04 dc8h16ooh-bo2<=>ic8ketdb+oh 2.500e+10 0.000 2.100e+04 ic8eteraa+oh<=>xc7h14+hco+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterab+oh<=>yc7h14+hco+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterac+oh<=>ic4h8+tc3h6cho+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterbd+oh<=>oc7h14+hco+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterdd+oh<=>c2h3cho+neoc5h11+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eteraa+oh<=>ic3h5cho+ic4h9+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterab+oh<=>ic4h8+ic3h7co+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterac+oh<=>ch2o+yc7h13-y2+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterbd+oh<=>c3h6+tc4h9co+h2o 1.250e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / ic8eteraa+ho2<=>xc7h14+hco+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterab+ho2<=>yc7h14+hco+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterac+ho2<=>ic4h8+tc3h6cho+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterbd+ho2<=>oc7h14+hco+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterdd+ho2<=>c2h3cho+neoc5h11+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8eteraa+ho2<=>ic3h5cho+ic4h9+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterab+ho2<=>ic4h8+ic3h7co+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterac+ho2<=>ch2o+yc7h13-y2+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8eterbd+ho2<=>c3h6+tc4h9co+h2o2 2.500e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8ketaa<=>ch2o+dc6h12cho-d+oh 1.000e+16 0.000 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8ketab<=>ic3h7cho+tc3h6cho+oh 1.000e+16 0.000 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8ketac<=>ch3coch3+tc4h8cho+oh 1.000e+16 0.000 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8ketbc<=>ch3coch3+tc4h9co+oh 1.000e+16 0.000 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8ketba<=>ch2o+ic3h7coc3h6-t+oh 1.000e+16 0.000 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8ketbd<=>ch2o+tc4h9coc2h4s+oh 1.000e+16 0.000 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8ketdd<=>ch2o+hc6h12cho+oh 1.000e+16 0.000 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / ic8ketdb<=>tc4h9cho+ch3chcho+oh 1.000e+16 0.000 3.900e+04 rev/ 0.000e+00 0.000 0.000e+00 / dc6h12cho-d<=>ic3h5cho+ic3h7 7.829e+15 -0.600 3.151e+04 rev/ 1.000e+11 0.000 8.300e+03 / ic3h7coc3h7-i+oh<=>ic3h7coc3h6-t+h2o 3.368e+12 0.000 -7.810e+02 rev/ 1.156e+13 -0.080 2.983e+04 / ic3h7coc3h7-i+ho2<=>ic3h7coc3h6-t+h2o2 1.600e+11 0.000 1.192e+04 rev/ 3.260e+12 -0.410 1.107e+04 / ic3h7coc3h7-i+ch3o2<=>ic3h7coc3h6-t+ch3o2h 7.220e+03 2.550 8.032e+03 rev/ 6.045e+05 1.970 6.464e+03 / ic3h7coc3h6-t<=>ic3h6co+ic3h7 1.217e+17 -0.630 4.205e+04 rev/ 1.000e+11 0.000 1.190e+04 / tc4h9coc2h4s<=>ch3chco+tc4h9 4.600e+20 -1.890 3.825e+04 rev/ 1.000e+11 0.000 1.060e+04 / hc6h12cho<=>c2h3cho+tc4h9 6.884e+19 -1.760 2.769e+04 rev/ 1.000e+11 0.000 7.800e+03 / yc7h13ooh-x2<=>yc7h13o-x2+oh 1.879e+20 -1.520 4.703e+04 rev/ 2.000e+13 0.000 0.000e+00 / yc7h13o-x2<=>ch2o+cc6h11-b 5.285e+25 -2.062 3.517e+04 rev/ 1.000e+11 0.000 1.190e+04 / ic4h6oh+h2o<=>ic4h7oh+oh 5.875e+06 1.927 3.024e+04 rev/ 3.120e+06 2.000 -2.980e+02 / ic4h6oh+ch4<=>ic4h7oh+ch3 3.570e+02 3.087 2.287e+04 rev/ 2.210e+00 3.500 5.675e+03 / ic4h6oh+c3h6<=>ic4h7oh+c3h5-a 2.508e+02 3.168 1.864e+04 rev/ 5.750e+02 3.150 1.866e+04 / ic4h6oh+ch3cho<=>ic4h7oh+ch3co 1.357e+09 1.400 1.794e+04 rev/ 5.300e+06 2.000 1.624e+04 / c3h5-a+ch2o<=>c3h6+hco 6.300e+08 1.900 1.819e+04 rev/ 9.165e+06 2.171 1.770e+04 / ic3h6chcoch3+oh<=>ac3h5chcoch3+h2o 1.530e+08 1.530 8.775e+03 rev/ 1.339e+10 1.010 4.143e+04 / ic3h6chcoch3+oh<=>ic3h6chcoch2+h2o 5.100e+11 0.000 1.192e+03 rev/ 6.120e+07 -0.460 2.807e+04 / ic3h6chcoch3+oh<=>ic3h7cho+ch3co 1.000e+11 0.000 0.000e+00 rev/ 3.844e+06 1.020 1.555e+04 / ic3h6chcoch3+ho2<=>ac3h5chcoch3+h2o2 2.740e+04 2.550 1.550e+04 rev/ 1.423e+07 1.710 1.669e+04 / ic3h6chcoch3+ho2<=>ic3h6chcoch2+h2o2 2.380e+04 2.550 1.469e+04 rev/ 1.695e+01 1.760 1.011e+04 / ic3h6chcoch3+ch3o2<=>ac3h5chcoch3+ch3o2h 5.000e+10 0.000 1.192e+04 rev/ 1.067e+14 -1.020 1.239e+04 / ic3h6chcoch3+ch3o2<=>ic3h6chcoch2+ch3o2h 3.010e+12 0.000 1.758e+04 rev/ 8.811e+09 -0.960 1.227e+04 / ac3h5chcoch3+ho2<=>ic3h5cho+ch3co+oh 1.000e+12 0.000 0.000e+00 rev/ 1.000e+00 0.000 0.000e+00 / ic3h6chcoch2<=>ic4h7+ch2co 1.401e+14 -1.640 5.075e+04 rev/ 8.000e+10 0.000 1.190e+04 / c5h11-1<=>c2h4+nc3h7 3.205e+12 0.451 2.943e+04 rev/ 8.800e+03 2.480 6.130e+03 / c5h11-1<=>h+c5h10-1 3.354e+11 0.608 3.564e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h10-1<=>c2h5+c3h5-a 1.000e+16 0.00 7.100e+04 c5h10-2<=>ch3+c4h71-3 1.000e+16 0.00 7.300e+04 c5h91-3+h<=>c5h10-1 1.000e+14 0.00 0.000e+00 c5h91-3+h<=>c5h10-2 1.000e+14 0.00 0.000e+00 c5h10-1+h<=>c5h91-3+h2 3.376e+05 2.360 2.070e+02 c5h10-1+h<=>c5h91-4+h2 1.300e+06 2.400 4.471e+03 c5h10-1+h<=>c5h91-5+h2 6.650e+05 2.540 6.756e+03 c5h10-1+o<=>c5h91-3+oh 6.600e+05 2.430 1.210e+03 c5h10-1+o<=>c5h91-4+oh 5.510e+05 2.450 2.830e+03 c5h10-1+o<=>c5h91-5+oh 9.800e+05 2.430 4.750e+03 c5h10-1+oh<=>c5h91-3+h2o 2.764e+04 2.640 -1.919e+03 c5h10-1+oh<=>c5h91-4+h2o 4.670e+07 1.610 -3.500e+01 c5h10-1+oh<=>c5h91-5+h2o 5.270e+09 0.970 1.586e+03 c5h10-1+ch3<=>c5h91-3+ch4 3.690e+00 3.310 4.002e+03 c5h10-1+ch3<=>c5h91-4+ch4 1.510e+00 3.460 5.481e+03 c5h10-1+ch3<=>c5h91-5+ch4 4.521e-01 3.650 7.154e+03 c5h10-1+o2<=>c5h91-3+ho2 2.200e+12 0.000 3.722e+04 c5h10-1+o2<=>c5h91-4+ho2 2.000e+13 0.000 4.964e+04 c5h10-1+o2<=>c5h91-5+ho2 3.000e+13 0.000 5.229e+04 c5h10-1+ho2<=>c5h91-3+h2o2 4.820e+03 2.550 1.053e+04 c5h10-1+ho2<=>c5h91-4+h2o2 9.640e+03 2.600 1.391e+04 c5h10-1+ho2<=>c5h91-5+h2o2 2.380e+04 2.550 1.649e+04 c5h10-1+ch3o2<=>c5h91-3+ch3o2h 4.820e+03 2.550 1.053e+04 c5h10-1+ch3o2<=>c5h91-4+ch3o2h 9.640e+03 2.600 1.391e+04 c5h10-1+ch3o2<=>c5h91-5+ch3o2h 2.380e+04 2.550 1.649e+04 c5h10-1+ch3o<=>c5h91-3+ch3oh 4.000e+01 2.900 8.609e+03 c5h10-1+ch3o<=>c5h91-4+ch3oh 1.450e+11 0.000 4.571e+03 c5h10-1+ch3o<=>c5h91-5+ch3oh 2.170e+11 0.000 6.458e+03 c5h10-2+h<=>c5h91-3+h2 1.730e+05 2.500 2.492e+03 c5h10-2+h<=>c5h92-5+h2 6.651e+05 2.540 6.756e+03 c5h10-2+o<=>c5h91-3+oh 4.410e+05 2.420 3.150e+03 c5h10-2+o<=>c5h92-5+oh 9.800e+05 2.430 4.750e+03 c5h10-2+oh<=>c5h91-3+h2o 3.120e+06 2.000 -12.980e+02 c5h10-2+oh<=>c5h92-5+h2o 5.270e+09 0.970 1.586e+03 c5h10-2+ch3<=>c5h91-3+ch4 2.210e+00 3.500 5.675e+03 c5h10-2+ch3<=>c5h92-5+ch4 4.521e-01 3.650 7.154e+03 c5h10-2+o2<=>c5h91-3+ho2 3.300e+12 0.000 3.990e+04 c5h10-2+o2<=>c5h92-5+ho2 3.000e+13 0.000 5.229e+04 c5h10-2+ho2<=>c5h91-3+h2o2 2.700e+04 2.500 1.234e+04 c5h10-2+ho2<=>c5h92-5+h2o2 2.380e+04 2.550 1.649e+04 c5h10-2+ch3o2<=>c5h91-3+ch3o2h 9.639e+03 2.600 1.391e+04 c5h10-2+ch3o2<=>c5h92-5+ch3o2h 2.380e+04 2.550 1.649e+04 c5h10-2+ch3o<=>c5h91-3+ch3oh 9.000e+01 2.950 1.199e+04 c5h10-2+ch3o<=>c5h92-5+ch3oh 2.170e+11 0.000 6.458e+03 c5h91-3+ho2<=>c5h9o1-3+oh 9.640e+12 0.000 0.000e+00 c5h91-3+ch3o2<=>c5h9o1-3+ch3o 9.640e+12 0.000 0.000e+00 c5h91-3+c2h5o2<=>c5h9o1-3+c2h5o 9.640e+12 0.000 0.000e+00 c4h6+ch3=c5h91-3 1.200e+11 0.000 7500.0 c3h6+c2h3<=>c5h91-4 6.300e+11 0.000 3100.0 c2h4+c3h5-a<=>c5h91-5 4.000e+11 0.000 13050.0 c3h5-t+c2h4=c5h92-5 6.300e+11 0.000 3100.0 c5h81-3+h<=>c5h91-3 2.50e+11 0.50 2620 c5h81-3+h<=>c5h91-4 2.50e+11 0.50 2620 c5h9o1-3<=>c2h3cho+c2h5 3.131e+19 -1.850 1.067e+04 c5h9o1-3<=>c2h5cho+c2h3 1.417e+18 -1.560 2.334e+04 c5h81-3+oh<=>ch2o+c4h71-3 1.000e+12 0.000 0.000e+00 c5h81-3+oh<=>c2h3cho+c2h5 1.000e+12 0.000 0.000e+00 c5h81-3+oh<=>ch3cho+c3h5-s 1.000e+12 0.000 0.000e+00 c5h10-1+oh<=>c5h10oh-1 1.000e+13 0.00 0.0000+03 c5h10oh-1+o2<=>o2c5h10oh-1 .600e+13 0.00 .0 o2c5h10oh-1<=>nc3h7cho+ch2o+oh 2.00e+12 0.00 2.680e+04 c4h71-4+ch3=c5h10-1 1.000e+13 0.00 0.000e+00 c5h91-3+o2=c5h91o2-3 2.00e+12 0.0 0.0 c5h91-4+o2=c5h91o2-4 7.54e+12 0.0 0.0 c5h91-5+o2=c5h91o2-5 4.52e+12 0.0 0.0 c5h92-5+o2=c5h92o2-5 4.52e+12 0.0 0.0 c5h91-5<=>c5h91-3 3.80e+10 0.7 28400.0 c5h91o2-3<=>c5h81-3+ho2 10.040e+38 -8.11 4.05e+04 c5h91o2-4<=>c5h81-3+ho2 5.040e+38 -8.11 3.85e+04 c5h92o2-5<=>c5h81-3+ho2 5.040e+38 -8.11 3.85e+04 c5h91o2-3=c5h81ooh3-4 2.00e+11 0.0 26450.0 c5h91o2-4=c5h81ooh4-3 1.00e+11 0.0 23450.0 c5h91o2-5=c5h81ooh5-3 1.25e+10 0.0 17450.0 c5h92o2-5=c5h82ooh5-4 1.00e+11 0.0 23450.0 ho2+c5h81-3=>cy3c5h8o+oh 4.85e+11 0.0 12700.0 ho2+c5h81-3<=>c5h81ooh3-4 1.00e+11 0.0 12000.0 ho2+c5h81-3<=>c5h81ooh4-3 1.00e+11 0.0 11000.0 c5h81ooh4-3=ch3+c2h2+c2h3ooh 3.00e+13 0.0 37500.0 c5h81ooh5-3=c4h6+ch2o+oh 3.00e+13 0.0 35000.0 c5h81ooh3-4=>cy3c5h8o+oh 6.00e+11 0.0 22000.0 c5h81ooh4-3=>cy3c5h8o+oh 9.375e+09 0.000 07000.0 c5h81ooh5-3=>cy3c5h8o+oh 7.50e+10 0.0 15250.0 c5h82ooh5-4=>cy3c5h8o+oh 9.375e+09 0.000 07000.0 o2+cy3c5h8o=>ho2+c2h3cho+c2h3 2.04e+07 2.0 40722.5 h+cy3c5h8o=>h2+c2h3cho+c2h3 2.57e+07 2.0 3950.6 oh+cy3c5h8o=>h2o+c2h3cho+c2h3 4.79e+06 2.0 -2259.8 o+cy3c5h8o=>oh+c2h3cho+c2h3 1.62e+07 2.0 2579.5 ho2+cy3c5h8o=>h2o2+c2h3cho+c2h3 6.46e+05 2.0 11887.7 hco+cy3c5h8o=>ch2o+c2h3cho+c2h3 1.52e+06 2.0 12360.4 ch3+cy3c5h8o=>ch4+c2h3cho+c2h3 4.68e+05 2.0 4871.3 c2h5+cy3c5h8o=>c2h6+c2h3cho+c2h3 2.76e+05 2.0 7658.1 ch3o+cy3c5h8o=>ch3oh+c2h3cho+c2h3 5.14e+05 2.0 1583.6 ch3o2+cy3c5h8o=>ch3o2h+c2h3cho+c2h3 9.13e+05 2.0 12360.4 c5h81-3+h<=>c5h91-1 4.25e+11 0.5 1230.0 c5h81-3+o=>c4h71-3+hco 2.00e+11 0.0 -1050.0 c5h11-1+o2<=>c5h10-1+ho2 8.370e-01 3.590 1.196e+04 rev/ 1.307e+00 3.420 2.781e+04 / c5h11o2-1<=>c5h11-1+o2 2.338e+20 -1.620 3.583e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h11o2-1<=>c5h10ooh1-3 2.500e+10 0.000 2.085e+04 rev/ 2.604e+09 -0.106 7.850e+03 / c5h11o2-1<=>c5h10-1+ho2 5.044e+38 -8.110 4.049e+04 rev/ 1.523e+31 -6.660 2.051e+04 / c5h10ooh1-3<=>oh+ch2o+c4h8-1 8.283e+13 -0.170 3.009e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-3o2<=>c5h10ooh1-3+o2 8.039e+22 -2.295 3.797e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-3o2<=>nc5ket13+oh 2.500e+10 0.000 2.140e+04 rev/ 1.109e+03 1.533 4.474e+04 / nc5ket13<=>c2h5cho+ch2cho+oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / c6h13-1+o2<=>c6h12-1+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-1<=>c2h4+pc4h9 6.391e+19 -1.97 3.064e+04 rev/ 3.300e+11 0.00 7.200e+03 / c6h13-1<=>c6h12-1+h 9.621e+13 -0.26 3.600e+04 rev/ 1.000e+13 0.00 2.900e+03 / o2+c6h12-1=>ch2o+nc4h9cho .1000e+15 .000 37000.0 c6h12-1<=>c3h6+c3h6 4.000e+12 0.00 5.800e+04 c6h12-1<=>nc3h7+c3h5-a 1.000e+16 0.00 7.100e+04 c6h12-3<=>ch3+c5h91-3 3.000e+16 0.00 7.200e+04 c6h111-3+h<=>c6h12-1 1.000e+14 0.00 0.000e+00 c5h91-5+ch3<=>c6h12-1 1.000e+13 0.00 0.000e+00 pc4h9+c2h3<=>c6h12-1 1.000e+13 0.00 0.000e+00 c4h71-4+c2h5<=>c6h12-1 8.000e+12 0.00 0.000e+00 c6h112-4+h<=>c6h12-3 1.000e+14 0.00 0.000e+00 c4h71-1+c2h5<=>c6h12-3 1.000e+13 0.00 0.000e+00 c6h12-1+oh=>pc4h9+ch3cho 1.00e+11 0.00 -2.000e+03 c6h12-3+oh=>pc4h9+ch3cho 1.000e+11 0.00 -4.000e+03 c5h10-1+oh<=>nc3h7+ch3cho 1.00e+11 0.00 -2.000e+03 c5h10-2+oh<=>ch3+nc3h7cho 1.00e+11 0.00 -2.000e+03 c6h12-1+o<=>c5h11-1+hco 1.000e+11 0.00 -1.050e+03 c6h12-1+h<=>c6h111-3+h2 3.376e+05 2.36 2.070e+02 c6h12-1+oh<=>c6h111-3+h2o 2.764e+04 2.64 -1.919e+03 c6h12-1+ch3<=>c6h111-3+ch4 3.690e+00 3.31 4.002e+03 c6h12-1+ho2<=>c6h111-3+h2o2 9.640e+03 2.55 1.053e+04 c6h12-1+ch3o2<=>c6h111-3+ch3o2h 4.820e+03 2.55 1.053e+04 c6h12-1+ch3o<=>c6h111-3+ch3oh 4.000e+01 2.90 8.609e+03 c6h12-3+h<=>c6h112-4+h2 6.752e+05 2.36 2.070e+02 c6h12-3+oh<=>c6h112-4+h2o 5.528e+04 2.64 -1.919e+03 c6h12-3+ch3<=>c6h112-4+ch4 7.380e+00 3.31 4.002e+03 c6h12-3+ho2<=>c6h112-4+h2o2 19.280e+03 2.55 1.053e+04 c6h12-3+ch3o2<=>c6h112-4+ch3o2h 9.640e+03 2.55 1.053e+04 c6h12-3+ch3o<=>c6h112-4+ch3oh 8.000e+01 2.90 8.609e+03 c6h12-1+o2<=>c6h111-3+ho2 2.200e+12 0.00 3.722e+04 c6h12-1+o<=>c6h111-3+oh 6.600e+05 2.43 1.210e+03 c6h12-3+o2<=>c6h112-4+ho2 4.400e+12 0.00 3.722e+04 c6h12-3+o<=>c6h112-4+oh 1.320e+06 2.43 1.210e+03 c2h5+c4h6=c6h111-3 8.500e+10 0.000 8300.0 ch3+c5h81-3=c6h112-4 1.000e+11 0.000 7800.0 c3h5-t+c3h6=c6h112-5 6.300e+11 0.000 3100.0 c6h112-5+o2=c6h112o2-5 .7540e+13 .000 .0 c6h112o2-5=>c6h102-4+ho2 5.040e+38 -8.11 3.75e+04 c6h112o2-5=c6h102ooh5-4 2.00e+11 0.000 2.445e+04 c6h102ooh4-5=>etes1+oh 6.000e+11 0.000 22000.0 c6h102ooh5-4=>etes1+oh 6.000e+11 0.000 22000.0 ho2+c6h102-4<=>c6h102ooh4-5 3.80e+11 0.000 8.80e+03 ho2+c6h102-4<=>c6h102ooh5-4 3.80e+11 0.000 7.80e+03 c6h12-3+o<=>nc3h7+c2h5co 1.000e+11 0.00 -1.050e+03 o2 +etes1=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +etes1=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +etes1=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +etes1=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +etes1=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +etes1=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +etes1=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +etes1=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 ch3o +etes1=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 ch3o2 +etes1=>ch3o2h+c2h3coch3+c2h3 .9133e+06 2.0 12360.44 c6h13o2-1<=>c6h13-1+o2 5.150e+20 -1.71 3.579e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h13o2-1<=>c6h12-1+ho2 5.044e+38 -8.11 4.049e+04 rev/ 9.638e+29 -6.22 2.047e+04 / c6h13o2-1<=>c6h12ooh1-3 2.500e+10 0.00 2.085e+04 rev/ 3.003e+09 -0.12 7.860e+03 / c6h12ooh1-3<=>oh+ch2o+c5h10-1 7.703e+13 -0.16 3.009e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-3o2<=>c6h12ooh1-3+o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh1-3o2<=>nc6ket13+oh 2.500e+10 0.00 2.140e+04 rev/ 8.825e+02 1.56 4.471e+04 / nc6ket13<=>nc3h7cho+ch2cho+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc4h9cho+o2<=>nc4h9co+ho2 2.000e+13 0.50 4.220e+04 rev/ 1.000e+07 0.00 4.000e+04 / nc4h9cho+oh<=>nc4h9co+h2o 2.690e+10 0.76 -3.400e+02 rev/ 2.143e+10 0.73 3.124e+04 / nc4h9cho+h<=>nc4h9co+h2 4.000e+13 0.00 4.200e+03 rev/ 1.800e+13 0.00 2.400e+04 / nc4h9cho+o<=>nc4h9co+oh 5.000e+12 0.00 1.790e+03 rev/ 1.000e+12 0.00 1.900e+04 / nc4h9cho+ho2<=>nc4h9co+h2o2 2.800e+12 0.00 1.360e+04 rev/ 1.000e+12 0.00 1.000e+04 / nc4h9cho+ch3<=>nc4h9co+ch4 1.700e+12 0.00 8.440e+03 rev/ 1.500e+13 0.00 2.800e+04 / nc4h9cho+ch3o<=>nc4h9co+ch3oh 1.150e+11 0.00 1.280e+03 rev/ 3.000e+11 0.00 1.800e+04 / nc4h9cho+ch3o2<=>nc4h9co+ch3o2h 1.000e+12 0.00 9.500e+03 rev/ 2.500e+10 0.00 1.000e+04 / nc4h9cho+oh<=>c4h8cho-2+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.837e+05 1.93 2.192e+04 / nc4h9cho+oh<=>c4h8cho-3+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.837e+05 1.93 2.192e+04 / nc4h9cho+oh<=>c4h8cho-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.202e+09 1.34 2.887e+04 / nc4h9co<=>pc4h9+co 1.000e+11 0.00 9.600e+03 rev/ 1.000e+11 0.00 0.000e+00 / c4h8cho-2<=>c3h6+ch2cho 2.984e+14 -0.76 2.332e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h8cho-3<=>c4h8-1+hco 4.797e+14 -0.72 2.435e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h8cho-4<=>c2h3cho+c2h5 1.863e+18 -1.30 3.083e+04 rev/ 1.000e+11 0.00 7.800e+03 / !ac3h5cho<=>c3h5-a+hco 1.813e+19 -1.08 6.848e+04 !rev/ 1.000e+13 0.00 0.000e+00 / !ac3h5cho+oh<=>ac3h5co+h2o 2.690e+10 0.76 -3.400e+02 !rev/ 1.741e+10 0.76 3.120e+04 / !ac3h5cho+oh<=>c2h3chcho+h2o 3.120e+06 2.00 -2.980e+02 !rev/ 1.246e+08 1.79 3.493e+04 / !ac3h5cho+ho2<=>ac3h5co+h2o2 3.000e+12 0.00 1.192e+04 !rev/ 1.152e+13 -0.33 1.199e+04 / !ac3h5cho+ho2<=>c2h3chcho+h2o2 9.630e+03 2.60 1.391e+04 !rev/ 2.283e+06 2.06 1.767e+04 / !ac3h5cho+ch3o2<=>ac3h5co+ch3o2h 1.000e+12 0.00 1.192e+04 !rev/ 1.579e+13 -0.51 1.127e+04 / !ac3h5cho+ch3o2<=>c2h3chcho+ch3o2h 1.990e+12 0.00 1.705e+04 !rev/ 1.939e+15 -0.72 2.009e+04 / !ac3h5co<=>c3h5-a+co 6.199e+15 -1.09 -3.300e+02 !rev/ 1.500e+11 0.00 4.810e+03 / !c2h3chcho+ho2=>c2h3cho+hco+oh 8.910e+12 0.00 0.000e+00 nc3h7coch3+oh<=>c3h6coch3-1+h2o 2.065e+07 1.73 7.530e+02 rev/ 3.604e+06 1.75 2.017e+04 / nc3h7coch3+oh<=>c3h6coch3-2+h2o 3.615e+07 1.64 -2.470e+02 rev/ 3.668e+05 2.01 2.166e+04 / nc3h7coch3+oh<=>c3h6coch3-3+h2o 8.450e+11 0.00 -2.280e+02 rev/ 2.368e+13 -0.28 2.870e+04 / nc3h7coch3+oh<=>nc3h7coch2+h2o 5.100e+11 0.00 1.192e+03 rev/ 9.286e+13 -0.74 2.773e+04 / nc3h7coch3+ho2<=>c3h6coch3-1+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.465e+04 2.24 4.442e+03 / nc3h7coch3+ho2<=>c3h6coch3-2+h2o2 5.600e+12 0.00 1.770e+04 rev/ 3.373e+11 0.05 8.142e+03 / nc3h7coch3+ho2<=>c3h6coch3-3+h2o2 2.000e+11 0.00 8.698e+03 rev/ 3.327e+13 -0.60 6.160e+03 / nc3h7coch3+ho2<=>nc3h7coch2+h2o2 2.380e+04 2.55 1.469e+04 rev/ 2.572e+07 1.48 9.762e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-1+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.281e+13 -0.49 6.607e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 4.926e+11 -0.13 6.774e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-3+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 1.367e+15 -0.78 1.199e+04 / nc3h7coch3+ch3o2<=>nc3h7coch2+ch3o2h 3.010e+12 0.00 1.758e+04 rev/ 1.337e+16 -1.25 1.193e+04 / c3h6coch3-1<=>c2h4+ch3coch2 2.904e+16 -1.21 2.700e+04 rev/ 1.000e+11 0.00 8.600e+03 / c3h6coch3-2<=>c3h6+ch3co 2.719e+16 -1.05 2.559e+04 rev/ 1.000e+11 0.00 7.800e+03 / c3h6coch3-3<=>c2h3coch3+ch3 9.615e+15 -0.75 3.239e+04 rev/ 1.000e+11 0.00 7.800e+03 / nc3h7coch2<=>nc3h7+ch2co 1.226e+18 -1.40 4.345e+04 rev/ 1.000e+11 0.00 1.160e+04 / c2h5coc2h5+oh<=>c2h5coc2h4p+h2o 1.054e+10 0.97 1.586e+03 rev/ 1.194e+09 0.95 2.103e+04 / c2h5coc2h5+ho2<=>c2h5coc2h4p+h2o2 4.760e+04 2.55 1.649e+04 rev/ 3.201e+04 2.20 4.472e+03 / c2h5coc2h5+o2<=>c2h5coc2h4p+ho2 4.100e+13 0.00 5.131e+04 rev/ 1.949e+10 0.31 -1.882e+03 / c2h5coc2h5+h<=>c2h5coc2h4p+h2 1.832e+07 2.00 7.700e+03 rev/ 4.794e+05 1.98 1.199e+04 / c2h5coc2h5+c2h3<=>c2h5coc2h4p+c2h4 1.000e+12 0.00 1.040e+04 rev/ 3.850e+08 0.81 1.404e+04 / c2h5coc2h5+c2h5<=>c2h5coc2h4p+c2h6 1.000e+11 0.00 1.340e+04 rev/ 1.070e+13 -0.58 1.400e+04 / c2h5coc2h5+ch3o<=>c2h5coc2h4p+ch3oh 4.340e+11 0.00 6.460e+03 rev/ 5.475e+09 0.00 9.020e+03 / c2h5coc2h5+ch3o2<=>c2h5coc2h4p+ch3o2h 6.020e+12 0.00 1.938e+04 rev/ 1.664e+13 -0.52 6.642e+03 / c2h5coc2h4p<=>c2h5co+c2h4 1.769e+17 -1.46 2.954e+04 rev/ 8.000e+10 0.00 1.130e+04 / nc7h16<=>h+c7h15-1 2.680e+88 -21.17 1.428e+05 rev/ 7.264e+84 -20.81 4.156e+04 / nc7h16<=>h+c7h15-2 1.300e+88 -21.01 1.395e+05 rev/ 2.263e+83 -20.31 4.083e+04 / nc7h16<=>h+c7h15-3 1.300e+88 -21.01 1.395e+05 rev/ 2.263e+83 -20.31 4.083e+04 / nc7h16<=>h+c7h15-4 6.500e+87 -21.01 1.395e+05 rev/ 2.255e+83 -20.31 4.083e+04 / nc7h16(+m)<=>c6h13-1+ch3(+m) 4.325e+24 -2.12 8.990e+04 low / 4.9630e+42 -7.7800e+00 4.2800e+04 / troe / 8.9200e-01 1.0000e+10 2.2280e+00 1.7980e+09 / nc7h16(+m)<=>c5h11-1+c2h5(+m) 6.818e+26 -2.70 8.891e+04 low / 3.7530e+48 -9.4600e+00 4.1310e+04 / troe / 9.0000e-02 3.6556e+00 1.0000e+10 9.3300e+09 / nc7h16(+m)<=>pc4h9+nc3h7(+m) 1.362e+26 -2.53 8.876e+04 low / 6.5090e+48 -9.5700e+00 4.1290e+04 / troe / 9.1100e-01 1.0000e+10 2.2382e+01 5.0000e+09 / nc7h16+h<=>c7h15-1+h2 1.880e+05 2.75 6.280e+03 rev/ 2.037e+01 3.38 8.618e+03 / nc7h16+h<=>c7h15-2+h2 2.600e+06 2.40 4.471e+03 rev/ 1.807e+01 3.38 9.318e+03 / nc7h16+h<=>c7h15-3+h2 2.600e+06 2.40 4.471e+03 rev/ 1.807e+01 3.38 9.318e+03 / nc7h16+h<=>c7h15-4+h2 1.300e+06 2.40 4.471e+03 rev/ 1.800e+01 3.38 9.318e+03 / nc7h16+o<=>c7h15-1+oh 1.930e+05 2.68 3.716e+03 rev/ 1.085e+01 3.29 4.642e+03 / nc7h16+o<=>c7h15-2+oh 9.540e+04 2.71 2.106e+03 rev/ 3.481e-01 3.67 5.541e+03 / nc7h16+o<=>c7h15-3+oh 9.540e+04 2.71 2.106e+03 rev/ 3.481e-01 3.67 5.541e+03 / nc7h16+o<=>c7h15-4+oh 4.770e+04 2.71 2.106e+03 rev/ 3.468e-01 3.67 5.541e+03 / nc7h16+oh<=>c7h15-1+h2o 2.570e+07 1.80 9.540e+02 rev/ 2.952e+04 2.33 1.818e+04 / nc7h16+oh<=>c7h15-2+h2o 4.900e+06 2.00 -5.960e+02 rev/ 3.624e+02 2.87 1.914e+04 / nc7h16+oh<=>c7h15-3+h2o 4.900e+06 2.00 -5.960e+02 rev/ 3.624e+02 2.87 1.914e+04 / nc7h16+oh<=>c7h15-4+h2o 2.450e+06 2.00 -5.960e+02 rev/ 3.610e+02 2.87 1.914e+04 / nc7h16+ho2<=>c7h15-1+h2o2 4.080e+01 3.59 1.716e+04 rev/ 2.557e+00 3.53 3.498e+03 / nc7h16+ho2<=>c7h15-2+h2o2 1.264e+02 3.37 1.372e+04 rev/ 4.982e-01 3.66 2.562e+03 / nc7h16+ho2<=>c7h15-3+h2o2 1.264e+02 3.37 1.372e+04 rev/ 4.982e-01 3.66 2.562e+03 / nc7h16+ho2<=>c7h15-4+h2o2 6.320e+01 3.37 1.372e+04 rev/ 4.952e-01 3.66 2.562e+03 / nc7h16+ch3<=>c7h15-1+ch4 9.040e-01 3.65 7.154e+03 rev/ 8.935e-02 3.84 1.103e+04 / nc7h16+ch3<=>c7h15-2+ch4 5.410e+04 2.26 7.287e+03 rev/ 3.432e+02 2.79 1.367e+04 / nc7h16+ch3<=>c7h15-3+ch4 5.410e+04 2.26 7.287e+03 rev/ 3.432e+02 2.79 1.367e+04 / nc7h16+ch3<=>c7h15-4+ch4 2.705e+04 2.26 7.287e+03 rev/ 3.419e+02 2.79 1.367e+04 / nc7h16+o2<=>c7h15-1+ho2 4.200e+13 0.00 5.280e+04 rev/ 2.386e+10 0.28 4.530e+02 / nc7h16+o2<=>c7h15-2+ho2 2.800e+13 0.00 5.015e+04 rev/ 1.000e+09 0.63 3.090e+02 / nc7h16+o2<=>c7h15-3+ho2 2.800e+13 0.00 5.015e+04 rev/ 1.000e+09 0.63 3.090e+02 / nc7h16+o2<=>c7h15-4+ho2 1.400e+13 0.00 5.015e+04 rev/ 9.941e+08 0.63 3.090e+02 / nc7h16+c2h5<=>c7h15-1+c2h6 1.000e+11 0.00 1.340e+04 rev/ 3.200e+11 0.00 1.230e+04 / nc7h16+c2h5<=>c7h15-2+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+c2h5<=>c7h15-3+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+c2h5<=>c7h15-4+c2h6 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+ch3o<=>c7h15-1+ch3oh 3.160e+11 0.00 7.000e+03 rev/ 1.200e+10 0.00 9.200e+03 / nc7h16+ch3o<=>c7h15-2+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+ch3o<=>c7h15-3+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+ch3o<=>c7h15-4+ch3oh 1.095e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+c2h3<=>c7h15-1+c2h4 1.000e+12 0.00 1.800e+04 rev/ 2.570e+12 0.00 2.540e+04 / nc7h16+c2h3<=>c7h15-2+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc7h16+c2h3<=>c7h15-3+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc7h16+c2h3<=>c7h15-4+c2h4 4.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc7h16+ch3o2<=>c7h15-1+ch3o2h 1.386e+00 3.97 1.828e+04 rev/ 1.690e+00 3.46 3.024e+03 / nc7h16+ch3o2<=>c7h15-2+ch3o2h 2.037e+01 3.58 1.481e+04 rev/ 1.562e+00 3.42 2.054e+03 / nc7h16+ch3o2<=>c7h15-3+ch3o2h 2.037e+01 3.58 1.481e+04 rev/ 1.562e+00 3.42 2.054e+03 / nc7h16+ch3o2<=>c7h15-4+ch3o2h 1.019e+01 3.58 1.481e+04 rev/ 1.553e+00 3.42 2.054e+03 / nc7h16+o2cho<=>c7h15-1+ho2cho 1.680e+13 0.00 2.044e+04 rev/ 1.170e+03 2.25 3.057e+03 / nc7h16+o2cho<=>c7h15-2+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.482e+01 2.64 2.823e+03 / nc7h16+o2cho<=>c7h15-3+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.482e+01 2.64 2.823e+03 / nc7h16+o2cho<=>c7h15-4+ho2cho 5.600e+12 0.00 1.769e+04 rev/ 2.472e+01 2.64 2.823e+03 / nc7h16+c7h15o2-2<=>c7h15-1+c7h15o2h-2 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-1+c7h15o2h-3 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-1+c7h15o2h-4 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-2+c7h15o2h-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-2+c7h15o2h-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-2+c7h15o2h-4 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-3+c7h15o2h-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-3+c7h15o2h-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-3+c7h15o2h-4 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-4+c7h15o2h-2 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-4+c7h15o2h-3 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-4+c7h15o2h-4 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15-1<=>c7h15-2+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-1<=>c7h15-3+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-1<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-2<=>c7h15-3+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / nc7h16+c7h15-2<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / nc7h16+c7h15-3<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / c7h15-1<=>c5h11-1+c2h4 1.227e+19 -1.91 3.140e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-1<=>c7h14-1+h 9.648e+13 -0.26 3.601e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-2<=>pc4h9+c3h6 9.764e+18 -1.79 3.136e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-2<=>c7h14-1+h 6.067e+12 0.09 3.681e+04 rev/ 1.000e+13 0.00 1.200e+03 / c7h15-2<=>c7h14-2+h 1.229e+13 -0.08 3.564e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-3<=>c4h8-1+nc3h7 6.165e+18 -1.71 3.096e+04 rev/ 1.000e+11 0.00 7.700e+03 / c7h15-3<=>c6h12-1+ch3 2.698e+17 -1.35 3.148e+04 rev/ 1.750e+11 0.00 7.200e+03 / c7h15-3<=>c7h14-2+h 1.229e+13 -0.08 3.564e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-3<=>c7h14-3+h 9.152e+12 -0.02 3.573e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-4<=>c2h5+c5h10-1 1.143e+18 -1.34 3.143e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-4<=>c7h14-3+h 1.819e+13 -0.02 3.573e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-1+o2<=>c7h14-1+ho2 3.000e-09 0.00 3.000e+03 rev/ 6.517e-10 0.18 1.876e+04 / c7h15-2+o2<=>c7h14-1+ho2 4.500e-09 0.00 5.020e+03 rev/ 1.532e-08 -0.16 1.827e+04 / c7h15-2+o2<=>c7h14-2+ho2 3.000e-09 0.00 3.000e+03 rev/ 5.040e-09 0.01 1.912e+04 / c7h15-3+o2<=>c7h14-2+ho2 3.000e-09 0.00 3.000e+03 rev/ 5.040e-09 0.01 1.912e+04 / c7h15-3+o2<=>c7h14-3+ho2 3.000e-09 0.00 3.000e+03 rev/ 6.769e-09 -0.05 1.903e+04 / c7h15-4+o2<=>c7h14-3+ho2 6.000e-09 0.00 3.000e+03 rev/ 6.795e-09 -0.05 1.903e+04 / c7h15-1<=>c7h15-3 1.386e+09 0.98 3.376e+04 rev/ 8.716e+07 1.33 3.627e+04 / c7h15-1<=>c7h15-4 2.541e+09 0.35 1.976e+04 rev/ 3.176e+08 0.70 2.227e+04 / c7h15-2<=>c7h15-3 9.587e+08 1.39 3.970e+04 rev/ 9.587e+08 1.39 3.970e+04 / c7h15-1<=>c7h15-2 5.478e+08 1.62 3.876e+04 rev/ 3.445e+07 1.97 4.127e+04 / c7h14-1+h<=>c7h131-3+h2 3.376e+05 2.36 2.070e+02 rev/ 4.393e+06 2.10 2.062e+04 / c7h14-1+h<=>c7h131-4+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-6+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-7+h2 6.650e+05 2.54 6.756e+03 rev/ 3.056e+04 2.54 1.132e+04 / c7h14-1+oh<=>c7h131-3+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.557e+06 2.38 3.365e+04 / c7h14-1+oh<=>c7h131-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1+oh<=>c7h131-5+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1+oh<=>c7h131-6+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1+oh<=>c7h131-7+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.049e+09 0.97 2.130e+04 / c7h14-1+ch3<=>c7h131-3+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.254e+03 3.05 2.489e+04 / c7h14-1+ch3<=>c7h131-4+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-6+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-7+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.427e-01 3.65 1.219e+04 / c7h14-1+ho2<=>c7h131-3+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.612e+06 1.96 1.463e+04 / c7h14-1+ho2<=>c7h131-4+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-5+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-6+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-7+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.811e+04 2.22 4.746e+03 / c7h14-1+ch3o2<=>c7h131-3+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.357e+06 1.79 1.161e+04 / c7h14-1+ch3o2<=>c7h131-4+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-6+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-7+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 5.853e+04 2.04 1.726e+03 / c7h14-1+ch3o<=>c7h131-3+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.510e+02 2.66 2.729e+04 / c7h14-1+ch3o<=>c7h131-4+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-6+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-7+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.808e+09 0.02 9.288e+03 / c7h14-2+h<=>c7h131-3+h2 1.730e+05 2.50 2.492e+03 rev/ 4.561e+06 2.06 2.003e+04 / c7h14-2+h<=>c7h132-4+h2 3.376e+05 2.36 2.070e+02 rev/ 4.400e+06 2.10 2.059e+04 / c7h14-2+h<=>c7h132-7+h2 6.651e+05 2.54 6.756e+03 rev/ 3.149e+04 2.53 1.130e+04 / c7h14-2+oh<=>c7h131-3+h2o 3.120e+06 2.00 -2.980e+02 rev/ 3.561e+08 1.56 3.240e+04 / c7h14-2+oh<=>c7h132-4+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.560e+06 2.38 3.362e+04 / c7h14-2+oh<=>c7h132-7+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.080e+09 0.96 2.128e+04 / c7h14-2+ch3<=>c7h131-3+ch4 2.210e+00 3.50 5.675e+03 rev/ 1.522e+03 3.06 2.370e+04 / c7h14-2+ch3<=>c7h132-4+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.256e+03 3.05 2.486e+04 / c7h14-2+ch3<=>c7h132-7+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.591e-01 3.64 1.217e+04 / c7h14-2+ho2<=>c7h131-3+h2o2 9.639e+03 2.60 1.391e+04 rev/ 6.531e+06 1.84 1.514e+04 / c7h14-2+ho2<=>c7h132-4+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.615e+06 1.96 1.460e+04 / c7h14-2+ho2<=>c7h132-7+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.896e+04 2.21 4.726e+03 / c7h14-2+ch3o2<=>c7h131-3+ch3o2h 9.639e+03 2.60 1.391e+04 rev/ 1.360e+07 1.66 1.212e+04 / c7h14-2+ch3o2<=>c7h132-4+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.362e+06 1.79 1.158e+04 / c7h14-2+ch3o2<=>c7h132-7+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 6.030e+04 2.04 1.706e+03 / c7h14-2+ch3o<=>c7h131-3+ch3oh 9.000e+01 2.95 1.199e+04 rev/ 1.144e+03 2.54 2.780e+04 / c7h14-2+ch3o<=>c7h132-4+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.513e+02 2.66 2.726e+04 / c7h14-2+ch3o<=>c7h132-7+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.953e+09 0.02 9.268e+03 / c7h14-3+h<=>c7h133-1+h2 6.651e+05 2.54 6.756e+03 rev/ 3.097e+04 2.53 1.126e+04 / c7h14-3+h<=>c7h132-4+h2 3.376e+05 2.36 2.070e+02 rev/ 3.276e+06 2.16 2.068e+04 / c7h14-3+h<=>c7h133-5+h2 3.376e+05 2.36 2.070e+02 rev/ 4.380e+06 2.10 2.056e+04 / c7h14-3+h<=>c7h133-6+h2 1.300e+06 2.40 4.471e+03 rev/ 3.916e+03 2.74 1.149e+04 / c7h14-3+h<=>c7h133-7+h2 6.651e+05 2.54 6.756e+03 rev/ 3.097e+04 2.53 1.126e+04 / c7h14-3+oh<=>c7h133-1+h2o 1.054e+10 0.97 1.586e+03 rev/ 2.125e+09 0.96 2.124e+04 / c7h14-3+oh<=>c7h132-4+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.161e+06 2.44 3.371e+04 / c7h14-3+oh<=>c7h133-5+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.552e+06 2.38 3.359e+04 / c7h14-3+oh<=>c7h133-6+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.091e+05 1.95 2.214e+04 / c7h14-3+oh<=>c7h133-7+h2o 1.054e+10 0.97 1.586e+03 rev/ 2.125e+09 0.96 2.124e+04 / c7h14-3+ch3<=>c7h133-1+ch4 9.042e-01 3.65 7.154e+03 rev/ 1.100e+00 3.64 1.213e+04 / c7h14-3+ch3<=>c7h132-4+ch4 3.690e+00 3.31 4.002e+03 rev/ 9.355e+02 3.11 2.495e+04 / c7h14-3+ch3<=>c7h133-5+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.251e+03 3.05 2.483e+04 / c7h14-3+ch3<=>c7h133-6+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.188e-01 3.80 1.298e+04 / c7h14-3+ch3<=>c7h133-7+ch4 9.042e-01 3.65 7.154e+03 rev/ 1.100e+00 3.64 1.213e+04 / c7h14-3+ho2<=>c7h133-1+h2o2 4.760e+04 2.55 1.649e+04 rev/ 5.697e+04 2.22 4.686e+03 / c7h14-3+ho2<=>c7h132-4+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.202e+06 2.03 1.469e+04 / c7h14-3+ho2<=>c7h133-5+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.607e+06 1.96 1.457e+04 / c7h14-3+ho2<=>c7h133-6+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.464e+02 2.61 4.622e+03 / c7h14-3+ho2<=>c7h133-7+h2o2 4.760e+04 2.55 1.649e+04 rev/ 5.697e+04 2.22 4.686e+03 / c7h14-3+ch3o2<=>c7h133-1+ch3o2h 4.760e+04 2.55 1.649e+04 rev/ 1.186e+05 2.04 1.666e+03 / c7h14-3+ch3o2<=>c7h132-4+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 2.503e+06 1.85 1.167e+04 / c7h14-3+ch3o2<=>c7h133-5+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.346e+06 1.79 1.155e+04 / c7h14-3+ch3o2<=>c7h133-6+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.554e+03 2.44 1.602e+03 / c7h14-3+ch3o2<=>c7h133-7+ch3o2h 4.760e+04 2.55 1.649e+04 rev/ 1.186e+05 2.04 1.666e+03 / c7h14-3+ch3o<=>c7h133-1+ch3oh 4.340e+11 0.00 6.458e+03 rev/ 9.743e+09 0.02 9.228e+03 / c7h14-3+ch3o<=>c7h132-4+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 1.871e+02 2.73 2.735e+04 / c7h14-3+ch3o<=>c7h133-5+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.502e+02 2.66 2.723e+04 / c7h14-3+ch3o<=>c7h133-6+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.106e+08 0.37 9.861e+03 / c7h14-3+ch3o<=>c7h133-7+ch3oh 4.340e+11 0.00 6.458e+03 rev/ 9.743e+09 0.02 9.228e+03 / c7h131-3+ho2<=>c7h13o1-3+oh 9.640e+12 0.00 0.000e+00 rev/ 4.435e+15 -1.02 1.540e+04 / c7h131-3+ch3o2<=>c7h13o1-3+ch3o 9.640e+12 0.00 0.000e+00 rev/ 4.332e+17 -1.60 2.016e+04 / c7h131-3+c2h5o2<=>c7h13o1-3+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 2.836e+14 -0.68 1.800e+04 / c7h131-3<=>c4h6+nc3h7 1.105e+19 -1.53 4.070e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-4<=>c5h10-1+c2h3 2.492e+12 0.03 3.730e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-4<=>c5h81-3+c2h5 2.289e+14 -0.68 2.205e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-5<=>c4h8-1+c3h5-a 6.177e+15 -1.18 1.798e+04 rev/ 5.000e+10 0.00 8.300e+03 / c7h131-6<=>c3h6+c4h71-4 1.238e+17 -1.17 3.074e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h131-7<=>c2h4+c5h91-5 9.416e+17 -1.56 3.118e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h132-4+ho2<=>c7h13o2-4+oh 9.640e+12 0.00 0.000e+00 rev/ 4.273e+15 -1.02 1.543e+04 / c7h132-4+ch3o2<=>c7h13o2-4+ch3o 9.640e+12 0.00 0.000e+00 rev/ 4.173e+17 -1.59 2.019e+04 / c7h132-4+c2h5o2<=>c7h13o2-4+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 2.732e+14 -0.67 1.803e+04 / c7h132-7<=>c2h4+c5h92-5 9.786e+17 -1.57 3.116e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-1<=>c2h4+c5h91-1 1.007e+17 -1.32 4.399e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-5+ho2<=>c7h13o3-5+oh 9.640e+12 0.00 0.000e+00 rev/ 1.182e+15 -0.84 1.527e+04 / c7h133-5+ch3o2<=>c7h13o3-5+ch3o 9.640e+12 0.00 0.000e+00 rev/ 1.155e+17 -1.42 2.003e+04 / c7h133-5+c2h5o2<=>c7h13o3-5+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 7.559e+13 -0.50 1.787e+04 / c7h133-6<=>c3h6+c4h71-1 1.354e+16 -0.92 4.356e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-7<=>c2h4+c5h91-3 2.274e+15 -1.20 1.805e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h13o1-3<=>c2h3cho+pc4h9 9.625e+19 -1.96 1.085e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o1-3<=>nc4h9cho+c2h3 1.026e+18 -1.51 2.330e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o2-4<=>sc3h5cho+nc3h7 6.319e+19 -1.93 1.113e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o2-4<=>nc3h7cho+c3h5-s 1.012e+22 -2.46 2.919e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o3-5<=>c4h7cho1-1+c2h5 6.033e+18 -1.62 1.045e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o3-5<=>c2h5cho+c4h71-1 6.425e+21 -2.43 3.009e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h14-1+oh<=>ch2o+c6h13-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1+oh<=>ch3cho+c5h11-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2+oh<=>ch3cho+c5h11-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2+oh<=>c2h5cho+pc4h9 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-3+oh<=>c2h5cho+pc4h9 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1+o<=>ch2cho+c5h11-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2+o<=>ch3cho+c5h10-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-3+o<=>ch3cho+c5h10-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1<=>pc4h9+c3h5-a 3.170e+21 -1.62 7.533e+04 rev/ 1.000e+13 0.00 0.000e+00 / c7h14-2<=>c4h71-3+nc3h7 3.735e+21 -1.74 7.571e+04 rev/ 1.000e+13 0.00 0.000e+00 / c7h14-3<=>c5h91-3+c2h5 5.947e+21 -1.85 7.579e+04 rev/ 1.000e+13 0.00 0.000e+00 / c7h15o2-1<=>c7h15-1+o2 2.657e+20 -1.67 3.540e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h15o2-2<=>c7h15-2+o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h15o2-3<=>c7h15-3+o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h15o2-4<=>c7h15-4+o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h15-1+c7h15o2-1<=>c7h15o-1+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 1.116e+14 -0.23 3.025e+04 / c7h15-1+c7h15o2-2<=>c7h15o-1+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / c7h15-1+c7h15o2-3<=>c7h15o-1+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / c7h15-1+c7h15o2-4<=>c7h15o-1+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / c7h15-2+c7h15o2-1<=>c7h15o-2+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-2+c7h15o2-2<=>c7h15o-2+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-2+c7h15o2-3<=>c7h15o-2+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-2+c7h15o2-4<=>c7h15o-2+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-1<=>c7h15o-3+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-3+c7h15o2-2<=>c7h15o-3+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-3<=>c7h15o-3+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-4<=>c7h15o-3+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-1<=>c7h15o-4+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-4+c7h15o2-2<=>c7h15o-4+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-3<=>c7h15o-4+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-4<=>c7h15o-4+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.511e+15 -0.73 3.179e+04 / c7h15-1+ho2<=>c7h15o-1+oh 7.000e+12 0.00 -1.000e+03 rev/ 3.549e+15 -0.57 2.616e+04 / c7h15-2+ho2<=>c7h15o-2+oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / c7h15-3+ho2<=>c7h15o-3+oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / c7h15-4+ho2<=>c7h15o-4+oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / c7h15-1+ch3o2<=>c7h15o-1+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 2.220e+14 -0.28 3.040e+04 / c7h15-2+ch3o2<=>c7h15o-2+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / c7h15-3+ch3o2<=>c7h15o-3+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / c7h15-4+ch3o2<=>c7h15o-4+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / c7h15o2-1<=>c7h14-1+ho2 10.044e+38 -8.11 4.149e+04 rev/ 9.291e+29 -6.22 2.086e+04 / c7h15o2-2<=>c7h14-1+ho2 10.075e+42 -9.41 4.249e+04 rev/ 9.596e+32 -7.21 1.707e+04 / c7h15o2-2<=>c7h14-2+ho2 10.044e+38 -8.11 4.149e+04 rev/ 4.708e+28 -5.74 1.894e+04 / c7h15o2-3<=>c7h14-2+ho2 10.044e+38 -8.11 4.149e+04 rev/ 4.708e+28 -5.74 1.894e+04 / c7h15o2-3<=>c7h14-3+ho2 10.044e+38 -8.11 4.149e+04 rev/ 6.323e+28 -5.80 1.885e+04 / c7h15o2-4<=>c7h14-3+ho2 2.009e+39 -8.11 4.149e+04 rev/ 6.348e+28 -5.80 1.885e+04 / c7h15o2-1<=>c7h14ooh1-2 2.000e+11 0.00 2.645e+04 c7h15o2-1<=>c7h14ooh1-3 2.500e+10 0.00 2.045e+04 c7h15o2-1<=>c7h14ooh1-4 3.125e+09 0.00 1.865e+04 c7h15o2-2<=>c7h14ooh2-1 3.000e+11 0.00 2.900e+04 c7h15o2-2<=>c7h14ooh2-3 2.000e+11 0.00 2.645e+04 c7h15o2-2<=>c7h14ooh2-4 2.500e+10 0.00 2.045e+04 c7h15o2-2<=>c7h14ooh2-5 3.125e+09 0.00 1.865e+04 c7h15o2-3<=>c7h14ooh3-1 3.750e+10 0.00 2.400e+04 c7h15o2-3<=>c7h14ooh3-2 2.000e+11 0.00 2.645e+04 c7h15o2-3<=>c7h14ooh3-4 2.000e+11 0.00 2.645e+04 c7h15o2-3<=>c7h14ooh3-5 2.500e+10 0.00 2.045e+04 c7h15o2-3<=>c7h14ooh3-6 3.125e+09 0.00 1.865e+04 c7h15o2-4<=>c7h14ooh4-2 5.000e+10 0.00 2.045e+04 c7h15o2-4<=>c7h14ooh4-3 4.000e+11 0.00 2.645e+04 c7h15o2-2+ho2<=>c7h15o2h-2+o2 1.750e+10 0.00 -3.275e+03 rev/ 4.496e+13 -0.82 3.404e+04 / c7h15o2-3+ho2<=>c7h15o2h-3+o2 1.750e+10 0.00 -3.275e+03 rev/ 4.496e+13 -0.82 3.404e+04 / c7h15o2-4+ho2<=>c7h15o2h-4+o2 1.750e+10 0.00 -3.275e+03 rev/ 4.497e+13 -0.82 3.404e+04 / h2o2+c7h15o2-2<=>ho2+c7h15o2h-2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / h2o2+c7h15o2-3<=>ho2+c7h15o2h-3 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / h2o2+c7h15o2-4<=>ho2+c7h15o2h-4 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c7h15o2-1+ch3o2<=>c7h15o-1+ch3o+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+ch3o2<=>c7h15o-2+ch3o+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+ch3o2<=>c7h15o-3+ch3o+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-4+ch3o2<=>c7h15o-4+ch3o+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-1<=>o2+c7h15o-1+c7h15o-1 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-2<=>c7h15o-1+c7h15o-2+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-3<=>c7h15o-1+c7h15o-3+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-4<=>c7h15o-1+c7h15o-4+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-2<=>o2+c7h15o-2+c7h15o-2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-3<=>c7h15o-2+c7h15o-3+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-4<=>c7h15o-2+c7h15o-4+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+c7h15o2-3<=>o2+c7h15o-3+c7h15o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+c7h15o2-4<=>c7h15o-3+c7h15o-4+o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-4+c7h15o2-4<=>o2+c7h15o-4+c7h15o-4 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2h-2<=>c7h15o-2+oh 1.000e+16 0.00 3.900e+04 rev/ 9.517e+06 2.03 -6.922e+03 / c7h15o2h-3<=>c7h15o-3+oh 1.000e+16 0.00 3.900e+04 rev/ 9.517e+06 2.03 -6.922e+03 / c7h15o2h-4<=>c7h15o-4+oh 1.000e+16 0.00 3.900e+04 rev/ 9.516e+06 2.03 -6.922e+03 / c7h15o-1<=>ch2o+c6h13-1 6.023e+20 -2.18 2.483e+04 rev/ 1.000e+11 0.00 1.190e+04 / c7h15o-2<=>ch3cho+c5h11-1 1.475e+22 -2.55 2.037e+04 rev/ 1.000e+11 0.00 1.290e+04 / c7h15o-3<=>c2h5cho+pc4h9 6.573e+17 -1.16 1.937e+04 rev/ 1.000e+11 0.00 1.290e+04 / c7h15o-4<=>nc3h7cho+nc3h7 4.769e+22 -2.58 2.182e+04 rev/ 1.000e+11 0.00 1.290e+04 / c7h14-1+ho2=c7h14ooh1-2 2.50e+03 2.500 1.12e+04 c7h14-1+ho2=c7h14ooh2-1 2.70e+03 2.500 1.05e+04 c7h14-2+ho2=c7h14ooh2-3 2.70e+03 2.500 1.05e+04 c7h14-2+ho2=c7h14ooh3-2 2.70e+03 2.500 1.05e+04 c7h14-3+ho2=c7h14ooh3-4 2.70e+03 2.500 1.05e+04 c7h14-3+ho2=c7h14ooh4-3 2.70e+03 2.500 1.05e+04 c7h14ooh1-3<=>c7h14o1-3+oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-4<=>c7h14o1-4+oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-4<=>c7h14o2-4+oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-5<=>c7h14o2-5+oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-1<=>c7h14o1-3+oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-5<=>c7h14o3-5+oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-6<=>c7h14o2-5+oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-2<=>c7h14o2-4+oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-3<=>oh+ch2o+c6h12-1 2.147e+09 1.23 3.037e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-4<=>oh+ch3cho+c5h10-1 1.548e+12 0.59 3.009e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-1<=>oh+nc4h9cho+c2h4 8.182e+13 -0.13 3.133e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-5<=>oh+c2h5cho+c4h8-1 2.661e+13 0.13 3.043e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-2<=>oh+nc3h7cho+c3h6 6.186e+13 0.09 3.084e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-3<=>c4h7ooh1-4+nc3h7 1.609e+12 0.54 2.774e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh1-4<=>c5h10-1+c2h4+ho2 1.446e+11 0.69 3.082e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-4<=>c5h9ooh1-4+c2h5 4.080e+12 0.32 2.923e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh2-5<=>c4h8-1+c3h6ooh2-1 6.856e+13 0.03 3.138e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh1-3o2<=>c7h14ooh1-3+o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh1-4o2<=>c7h14ooh1-4+o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-3o2<=>c7h14ooh2-3+o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-4o2<=>c7h14ooh2-4+o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-5o2<=>c7h14ooh2-5+o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-1o2<=>c7h14ooh3-1+o2 3.323e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh3-2o2<=>c7h14ooh3-2+o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-4o2<=>c7h14ooh3-4+o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-5o2<=>c7h14ooh3-5+o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-6o2<=>c7h14ooh3-6+o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh4-2o2<=>c7h14ooh4-2+o2 6.969e+22 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh4-3o2<=>c7h14ooh4-3+o2 6.969e+22 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh1-3o2<=>nc7ket13+oh 2.500e+10 0.00 2.100e+04 c7h14ooh1-4o2<=>nc7ket14+oh 3.125e+09 0.00 1.895e+04 c7h14ooh2-3o2<=>nc7ket23+oh 1.000e+11 0.00 2.345e+04 c7h14ooh2-4o2<=>nc7ket24+oh 1.250e+10 0.00 1.745e+04 c7h14ooh2-5o2<=>nc7ket25+oh 1.563e+09 0.00 1.565e+04 c7h14ooh3-1o2<=>nc7ket31+oh 1.250e+10 0.00 1.745e+04 c7h14ooh3-2o2<=>nc7ket32+oh 1.000e+11 0.00 2.345e+04 c7h14ooh3-4o2<=>nc7ket34+oh 1.000e+11 0.00 2.345e+04 c7h14ooh3-5o2<=>nc7ket35+oh 1.250e+10 0.00 1.745e+04 c7h14ooh3-6o2<=>nc7ket36+oh 1.563e+09 0.00 1.565e+04 c7h14ooh4-2o2<=>nc7ket42+oh 1.250e+10 0.00 1.745e+04 c7h14ooh4-3o2<=>nc7ket43+oh 1.000e+11 0.00 2.345e+04 nc7ket13<=>nc4h9cho+ch2cho+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket14<=>nc3h7cho+ch2ch2cho+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket23<=>nc4h9cho+ch3co+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket24<=>nc3h7cho+ch3coch2+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket25<=>c2h5cho+ch2ch2coch3+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket31<=>ch2o+nc4h9coch2+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket32<=>ch3cho+nc4h9co+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket34<=>nc3h7cho+c2h5co+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket35<=>c2h5cho+c2h5coch2+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket36<=>ch3cho+c2h5coc2h4p+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket42<=>ch3cho+nc3h7coch2+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket43<=>c2h5cho+nc3h7co+oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3+oh<=>c6h12-1+hco+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4+oh<=>c5h10-1+ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4+oh<=>ch3co+c5h10-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5+oh<=>ch3coch2+c4h8-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5+oh<=>c2h5co+c4h8-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3+oh<=>c2h4+nc4h9co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4+oh<=>c2h4+nc3h7coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4+oh<=>c3h6+nc3h7co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5+oh<=>c3h6+c2h5coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5+oh<=>c2h5cho+c4h71-2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3+ho2<=>c6h12-1+hco+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4+ho2<=>c5h10-1+ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4+ho2<=>ch3co+c5h10-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5+ho2<=>ch3coch2+c4h8-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5+ho2<=>c2h5co+c4h8-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3+ho2<=>c2h4+nc4h9co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4+ho2<=>c2h4+nc3h7coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4+ho2<=>c3h6+nc3h7co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5+ho2<=>c3h6+c2h5coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5+ho2<=>c2h5cho+c4h71-2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14oh-2<=>c7h14-2+oh 1.044e+16 -1.00 2.940e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c7h14oh-2<=>c7h14oh-2+o2 4.775e+21 -2.06 3.786e+04 rev/ 2.000e+12 0.00 0.000e+00 / c7h14oh-3<=>c7h14-3+oh 7.773e+15 -0.93 2.949e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c7h14oh-3<=>c7h14oh-3+o2 4.775e+21 -2.06 3.786e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c7h14oh-3<=>nc3h7cho+c2h5cho+oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc4h9coch3+oh<=>nc4h9coch2+h2o 5.100e+11 0.00 1.192e+03 rev/ 6.786e+13 -0.70 2.768e+04 / nc4h9coch3+ho2<=>nc4h9coch2+h2o2 2.380e+04 2.55 1.469e+04 rev/ 1.880e+07 1.52 9.712e+03 / nc4h9coch3+ch3o2<=>nc4h9coch2+ch3o2h 3.010e+12 0.00 1.758e+04 rev/ 9.770e+15 -1.21 1.188e+04 / nc4h9coch2<=>pc4h9+ch2co 1.554e+18 -1.41 4.314e+04 rev/ 1.000e+11 0.00 1.160e+04 / c4h7ooh1-4<=>c4h7o1-4+oh 2.021e+20 -1.53 4.704e+04 rev/ 2.000e+13 0.00 0.000e+00 / c5h9ooh1-4<=>c5h9o1-4+oh 1.178e+20 -1.38 4.605e+04 rev/ 2.000e+13 0.00 0.000e+00 / c4h7o1-4<=>ch2o+c3h5-a 2.412e+16 -1.14 7.550e+03 rev/ 1.000e+11 0.00 1.190e+04 / c5h9o1-4<=>ch3cho+c3h5-a 7.715e+20 -2.43 5.890e+03 rev/ 5.000e+10 0.00 9.600e+03 / c5h91-1<=>c2h2+nc3h7 2.755e+15 -0.67 3.080e+04 rev/ 2.000e+11 0.00 7.800e+03 / c4h7cho1-1+oh<=>c4h7co1-1+h2o 3.370e+12 0.00 -6.160e+02 rev/ 5.203e+12 0.03 3.680e+04 / c4h7cho1-1+oh<=>c4h6cho1-13+h2o 3.120e+06 2.00 -2.980e+02 rev/ 1.251e+08 1.79 3.493e+04 / c4h7cho1-1+oh<=>c2h5cho+ch2cho 1.000e+11 0.00 0.000e+00 rev/ 1.076e+07 1.10 1.702e+04 / c4h7cho1-1+ho2<=>c4h7co1-1+h2o2 1.000e+12 0.00 1.192e+04 rev/ 9.165e+12 -0.30 1.787e+04 / c4h7cho1-1+ho2<=>c4h6cho1-13+h2o2 9.640e+03 2.60 1.391e+04 rev/ 2.295e+06 2.06 1.768e+04 / c4h7cho1-1+ch3o2<=>c4h7co1-1+ch3o2h 2.800e+12 0.00 1.360e+04 rev/ 1.055e+14 -0.47 1.883e+04 / c4h7cho1-1+ch3o2<=>c4h6cho1-13+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.947e+15 -0.72 2.010e+04 / c4h7co1-1<=>c4h71-1+co 8.510e+20 -2.12 4.032e+04 rev/ 1.500e+11 0.00 4.810e+03 / c4h6cho1-13<=>c4h6+hco 8.954e+17 -1.28 4.623e+04 rev/ 8.000e+10 0.00 1.140e+04 / ! ! ic8h18 + c7h15-1 = nc7h16 + ac8h17 1.500e+11 0.00 1.340e+04 ic8h18 + c7h15-1 = nc7h16 + bc8h17 5.000e+10 0.00 1.040e+04 ic8h18 + c7h15-1 = nc7h16 + cc8h17 1.000e+11 0.00 7.900e+03 ic8h18 + c7h15-1 = nc7h16 + dc8h17 1.000e+11 0.00 1.340e+04 ic8h18 + c7h15-2 = nc7h16 + ac8h17 1.500e+11 0.00 1.440e+04 ic8h18 + c7h15-2 = nc7h16 + bc8h17 5.000e+10 0.00 1.140e+04 ic8h18 + c7h15-2 = nc7h16 + cc8h17 1.000e+11 0.00 8.900e+03 ic8h18 +c7h15-2 = nc7h16 +dc8h17 1.000e+11 0.00 1.440e+04 ic8h18 +c7h15-3 = nc7h16 +ac8h17 1.500e+11 0.00 1.440e+04 ic8h18 +c7h15-3 = nc7h16 +bc8h17 5.000e+10 0.00 1.140e+04 ic8h18 +c7h15-3 = nc7h16 +cc8h17 1.000e+11 0.00 8.900e+03 ic8h18 +c7h15-3 = nc7h16 +dc8h17 1.000e+11 0.00 1.440e+04 ic8h18 +c7h15-4 = nc7h16 +ac8h17 1.500e+11 0.00 1.440e+04 ic8h18 +c7h15-4 = nc7h16 +bc8h17 5.000e+10 0.00 1.140e+04 ic8h18 +c7h15-4 = nc7h16 +cc8h17 1.000e+11 0.00 8.900e+03 ic8h18 +c7h15-4 = nc7h16 +dc8h17 1.000e+11 0.00 1.440e+04 ac8h17o2 + nc7h16 = ac8h17o2h + c7h15-1 1.21e+13 0 20430 ac8h17o2 + nc7h16 = ac8h17o2h + c7h15-2 8.06e+12 0 17700 ac8h17o2 + nc7h16 = ac8h17o2h + c7h15-3 8.06e+12 0 17700 ac8h17o2 + nc7h16 = ac8h17o2h + c7h15-4 4.03e+12 0 17700 bc8h17o2 +nc7h16 = bc8h17o2h +c7h15-1 1.21e+13 0 20430 bc8h17o2 +nc7h16 = bc8h17o2h +c7h15-2 8.06e+12 0 17700 bc8h17o2 +nc7h16 = bc8h17o2h +c7h15-3 8.06e+12 0 17700 bc8h17o2 +nc7h16 = bc8h17o2h +c7h15-4 4.03e+12 0 17700 cc8h17o2 + nc7h16 = cc8h17o2h + c7h15-1 1.21e+13 0 20430 cc8h17o2 + nc7h16 = cc8h17o2h + c7h15-2 8.06e+12 0 17700 cc8h17o2 + nc7h16 = cc8h17o2h + c7h15-3 8.06e+12 0 17700 cc8h17o2 + nc7h16 = cc8h17o2h + c7h15-4 4.03e+12 0 17700 dc8h17o2 +nc7h16 = dc8h17o2h +c7h15-1 1.21e+13 0 20430 dc8h17o2 +nc7h16 = dc8h17o2h +c7h15-2 8.06e+12 0 17700 dc8h17o2 +nc7h16 = dc8h17o2h +c7h15-3 8.06e+12 0 17700 dc8h17o2 +nc7h16 = dc8h17o2h +c7h15-4 4.03e+12 0 17700 c7h15o2-2 + ic8h18 = ac8h17 +c7h15o2h-2 2.52e+13 0 20440 c7h15o2-3 + ic8h18 = ac8h17 +c7h15o2h-3 2.52e+13 0 20440 c7h15o2-4 + ic8h18 = ac8h17 +c7h15o2h-4 2.52e+13 0 20440 c7h15o2-2 + ic8h18 = bc8h17 +c7h15o2h-2 5.60e+12 0 17690 c7h15o2-3 + ic8h18 = bc8h17 +c7h15o2h-3 5.60e+12 0 17690 c7h15o2-4 + ic8h18 = bc8h17 +c7h15o2h-4 5.60e+12 0 17690 c7h15o2-2 + ic8h18 = cc8h17 +c7h15o2h-2 2.80e+12 0 16100 c7h15o2-3 + ic8h18 = cc8h17 +c7h15o2h-3 2.80e+12 0 16100 c7h15o2-4 + ic8h18 = cc8h17 +c7h15o2h-4 2.80e+12 0 16100 c7h15o2-2 + ic8h18 = dc8h17 +c7h15o2h-2 1.68e+13 0 20440 c7h15o2-3 + ic8h18 = dc8h17 +c7h15o2h-3 1.68e+13 0 20440 c7h15o2-4 + ic8h18 = dc8h17 +c7h15o2h-4 1.68e+13 0 20440 ic8h18 +yc7h15o2 = ac8h17+ yc7h15o2h 2.52e+13 0 20440 ic8h18 +yc7h15o2 = bc8h17 + yc7h15o2h 5.60e+12 0 17690 ic8h18 + yc7h15o2 = cc8h17 +yc7h15o2h 2.80e+12 0 16100 ic8h18 + yc7h15o2 = dc8h17 +yc7h15o2h 1.68e+13 0 20440 ic8h18 + pc7h15o2 = pc7h15o2h +ac8h17 2.52e+13 0 20440 ic8h18 + pc7h15o2 = pc7h15o2h +bc8h17 5.60e+12 0 17690 ic8h18 +pc7h15o2 = pc7h15o2h + cc8h17 2.80e+12 0 16100 ic8h18 +pc7h15o2 = pc7h15o2h + dc8h17 1.68e+13 0 20440 c7h15-1 + c6h12-1 = nc7h16 + c6h111-3 7.000e+10 0.00 7.900e+03 c7h15-2 + c6h12-1 = nc7h16 + c6h111-3 7.000e+10 0.00 8.900e+03 c7h15-3 + c6h12-1 = nc7h16 + c6h111-3 7.000e+10 0.00 8.900e+03 c7h15-4 + c6h12-1 = nc7h16 + c6h111-3 7.000e+10 0.00 8.900e+03 ac8h17 + c6h12-1 = ic8h18 + c6h111-3 7.000e+10 0.00 7.900e+03 bc8h17 + c6h12-1 = ic8h18 + c6h111-3 7.000e+10 0.00 8.900e+03 cc8h17 + c6h12-1 = ic8h18 + c6h111-3 7.000e+10 0.00 1.190e+04 dc8h17 + c6h12-1 = ic8h18 + c6h111-3 7.000e+10 0.00 7.900e+03 ac8h17o2 + c6h12-1 = ac8h17o2h + c6h111-3 2.01e+12 0 13700 bc8h17o2 + c6h12-1 = bc8h17o2h + c6h111-3 2.01e+12 0 13700 cc8h17o2 + c6h12-1 = cc8h17o2h + c6h111-3 2.01e+12 0 13700 dc8h17o2 + c6h12-1 = dc8h17o2h + c6h111-3 2.01e+12 0 13700 c7h15o2-1 + c6h12-1 = c6h111-3 +c7h15o2h-4 2.01e+12 0 13700 c7h15o2-2 + c6h12-1 = c6h111-3 +c7h15o2h-4 2.01e+12 0 13700 c7h15o2-3 + c6h12-1 = c6h111-3 +c7h15o2h-4 2.01e+12 0 13700 c7h15o2-4 + c6h12-1 = c6h111-3 +c7h15o2h-4 2.01e+12 0 13700 ! ! ! ! c7h15-1 + c2h5oh = nc7h16 + pc2h4oh 5.000e+10 0.00 1.340e+04 c7h15-2 + c2h5oh = nc7h16 + pc2h4oh 5.000e+10 0.00 1.440e+04 c7h15-3 + c2h5oh = nc7h16 + pc2h4oh 5.000e+10 0.00 1.440e+04 c7h15-4 + c2h5oh = nc7h16 + pc2h4oh 5.000e+10 0.00 1.440e+04 c7h15-1 + c2h5oh = nc7h16 + sc2h4oh 7.000e+10 0.00 7.900e+03 c7h15-2 + c2h5oh = nc7h16 + sc2h4oh 7.000e+10 0.00 8.900e+03 c7h15-3 + c2h5oh = nc7h16 + sc2h4oh 7.000e+10 0.00 8.900e+03 c7h15-4 + c2h5oh = nc7h16 + sc2h4oh 7.000e+10 0.00 8.900e+03 ac8h17 + c2h5oh = ic8h18 + sc2h4oh 7.000e+12 0.00 7.900e+03 bc8h17 + c2h5oh = ic8h18 + sc2h4oh 7.000e+12 0.00 8.900e+03 cc8h17 + c2h5oh = ic8h18 + sc2h4oh 7.000e+12 0.00 1.190e+04 dc8h17 + c2h5oh = ic8h18 + sc2h4oh 7.000e+12 0.00 7.900e+03 ! ! END