Alkene Yields in decomposition of 4-methyl-1-pentyl Figure 1, Temp in K #Temp,C2H4,C3H6,iso-C4H8,1-C5H10 1024.6,0.342,0.473,0.148,0.037 1008.9,0.333,0.483,0.147,0.037 985.7,0.325,0.488,0.152,0.036 977.1,0.323,0.487,0.155,0.035 976.5,0.326,0.483,0.156,0.035 969.1,0.326,0.483,0.157,0.035 967.8,0.325,0.484,0.157,0.035 933.6,0.310,0.498,0.163,0.029 927.1,0.316,0.484,0.167,0.032 929.4,0.315,0.490,0.162,0.032 932.1,0.321,0.484,0.161,0.033 940.4,0.317,0.489,0.159,0.036 945.7,0.317,0.493,0.157,0.034 946.8,0.317,0.490,0.160,0.033 953.2,0.314,0.482,0.163,0.042 963.4,0.323,0.487,0.155,0.035 970.7,0.323,0.488,0.155,0.033 970.8,0.327,0.483,0.153,0.037 978.9,0.325,0.486,0.153,0.036 986.3,0.331,0.480,0.152,0.037 994.7,0.332,0.483,0.148,0.037 1008.0,0.335,0.482,0.146,0.037 1067.8,0.355,0.471,0.136,0.038 1056.4,0.351,0.472,0.139,0.038 1042.4,0.348,0.473,0.141,0.038 1022.7,0.338,0.480,0.146,0.037 990.8,0.334,0.478,0.151,0.037 984.7,0.327,0.486,0.152,0.035 939.8,0.322,0.487,0.160,0.031 934.3,0.317,0.486,0.164,0.033 931.8,0.314,0.495,0.160,0.031 Deviations from the high-pressure limit for alpha=300 cm-1 Comma-separated values Rate,P (bar),500,700,900,1100,1300,1500,1700,1900 k1d,0.1,0.85,0.30,0.06,0.03,0.03,0.05,0.08,0.13 k1d,1,0.96,0.70,0.24,0.10,0.07,0.08,0.11,0.16 k1d,10,0.98,0.93,0.62,0.28,0.17,0.15,0.16,0.19 k1d,100,0.98,0.98,0.90,0.63,0.40,0.30,0.26,0.26 k1d,1000,0.98,0.98,0.97,0.87,0.74,0.59,0.47,0.41 k4d,0.1,0.89,0.48,0.14,0.06,0.04,0.04,0.05,0.09 k4d,1,0.97,0.78,0.39,0.17,0.10,0.08,0.10,0.13 k4d,10,0.98,0.94,0.73,0.44,0.26,0.18,0.17,0.19 k4d,100,0.99,0.99,0.94,0.80,0.56,0.39,0.32,0.30 k4d,1000,0.99,1.00,0.99,1.00,0.90,0.72,0.58,0.50 k5da,0.1,0.88,0.33,0.07,0.02,0.02,0.02,0.03,0.04 k5da,1,0.98,0.76,0.29,0.10,0.05,0.04,0.05,0.06 k5da,10,0.99,0.96,0.70,0.33,0.16,0.11,0.09,0.10 k5da,100,1.00,1.00,0.95,0.73,0.45,0.29,0.21,0.19 k5da,1000,1.00,1.01,1.01,0.96,0.83,0.65,0.49,0.39 k5db,0.1,0.88,0.36,0.08,0.03,0.02,0.02,0.03,0.04 k5db,1,0.96,0.76,0.31,0.11,0.06,0.05,0.05,0.06 k5db,10,0.97,0.93,0.69,0.35,0.17,0.11,0.10,0.10 k5db,100,0.97,0.97,0.92,0.73,0.46,0.29,0.21,0.19 k5db,1000,0.97,0.97,0.96,0.94,0.81,0.63,0.48,0.38 k2d,0.1,0.94,0.56,0.18,0.06,0.03,0.03,0.03,0.05 k2d,1,1.01,0.87,0.49,0.20,0.10,0.07,0.07,0.08 k2d,10,1.02,1.00,0.84,0.49,0.27,0.18,0.14,0.14 k2d,100,1.02,1.03,1.01,0.82,0.59,0.42,0.31,0.26 k2d,1000,1.02,1.04,1.04,0.95,0.89,0.79,0.63,0.51 k15,0.1,0.93,0.67,0.30,0.17,0.13,0.14,0.18,0.24 k15,1,0.94,0.87,0.54,0.31,0.22,0.21,0.23,0.28 k15,10,0.94,0.93,0.80,0.54,0.37,0.33,0.32,0.33 k15,100,0.94,0.94,0.92,0.80,0.61,0.53,0.45,0.43 k15,1000,0.94,0.95,0.94,0.93,0.85,0.79,0.68,0.60 -k15,0.1,0.94,0.78,0.39,0.19,0.12,0.10,0.10,0.11 -k15,1,0.94,0.91,0.66,0.37,0.22,0.17,0.15,0.16 -k15,10,0.94,0.94,0.86,0.63,0.41,0.31,0.25,0.23 -k15,100,0.94,0.95,0.93,0.86,0.67,0.54,0.42,0.36 -k15,1000,0.94,0.95,0.95,0.94,0.88,0.84,0.69,0.58 k14,0.1,1.02,0.66,0.25,0.13,0.10,0.10,0.13,0.19 k14,1,1.03,0.92,0.51,0.26,0.18,0.15,0.17,0.22 k14,10,1.04,1.02,0.83,0.51,0.34,0.25,0.24,0.26 k14,100,1.04,1.03,1.00,0.83,0.61,0.42,0.36,0.35 k14,1000,1.04,1.03,1.03,1.00,0.90,0.68,0.57,0.50 -k14,0.1,0.97,0.63,0.22,0.09,0.05,0.04,0.06,0.09 -k14,1,1.00,0.87,0.49,0.22,0.13,0.10,0.10,0.14 -k14,10,1.00,0.98,0.80,0.49,0.29,0.20,0.18,0.20 -k14,100,1.00,1.00,0.97,0.82,0.59,0.40,0.32,0.30 -k14,1000,1.00,1.01,1.01,0.99,0.90,0.71,0.58,0.49 k52,0.1,0.95,0.68,0.25,0.10,0.06,0.05,0.05,0.07 k52,1,0.96,0.90,0.54,0.24,0.13,0.10,0.09,0.10 k52,10,0.96,0.96,0.84,0.52,0.30,0.20,0.16,0.16 k52,100,0.96,0.97,0.96,0.82,0.59,0.42,0.31,0.27 k52,1000,0.96,0.97,0.98,0.95,0.86,0.75,0.59,0.48 -k52,0.1,0.96,0.64,0.23,0.08,0.04,0.03,0.03,0.04 -k52,1,0.98,0.88,0.53,0.23,0.11,0.08,0.07,0.07 -k52,10,0.99,0.97,0.83,0.51,0.28,0.18,0.14,0.13 -k52,100,0.99,0.99,0.96,0.82,0.60,0.43,0.31,0.25 -k52,1000,0.99,0.99,0.99,0.95,0.88,0.79,0.62,0.50 2-4MeP Initial Radical Deviations from the high-pressure limit for alpha=500 cm-1 Comma-separated values Rate,P (bar),500,700,900,1100,1300,1500,1700,1900 k1d,0.1,0.96,0.60,0.17,0.05,0.03,0.02,0.02,0.03 k1d,1,0.99,0.91,0.54,0.21,0.09,0.06,0.05,0.06 k1d,10,0.99,0.99,0.89,0.58,0.31,0.18,0.13,0.12 k1d,100,0.99,1.00,0.99,0.90,0.70,0.48,0.32,0.25 k1d,1000,0.99,1.00,1.00,0.98,0.94,0.85,0.66,0.53 k4d,0.1,0.95,0.64,0.26,0.09,0.04,0.03,0.02,0.03 k4d,1,1.00,0.88,0.59,0.29,0.14,0.08,0.07,0.07 k4d,10,1.01,0.99,0.87,0.63,0.39,0.24,0.18,0.15 k4d,100,1.01,1.01,0.99,0.90,0.75,0.56,0.43,0.34 k4d,1000,1.01,1.02,1.02,0.99,0.95,0.89,0.79,0.67 k5da,0.1,0.98,0.53,0.12,0.04,0.02,0.02,0.03,0.05 k5da,1,1.00,0.90,0.45,0.15,0.07,0.05,0.06,0.07 k5da,10,1.00,1.00,0.84,0.47,0.23,0.14,0.11,0.12 k5da,100,1.00,1.01,1.00,0.86,0.58,0.37,0.25,0.22 k5da,1000,1.00,1.02,1.02,1.00,0.93,0.76,0.53,0.43 k5db,0.1,0.99,0.58,0.15,0.04,0.02,0.02,0.03,0.05 k5db,1,1.01,0.92,0.48,0.17,0.08,0.06,0.06,0.08 k5db,10,1.01,1.01,0.86,0.47,0.24,0.15,0.12,0.13 k5db,100,1.01,1.01,1.00,0.83,0.58,0.38,0.27,0.23 k5db,1000,1.01,1.02,1.02,0.95,0.89,0.73,0.55,0.44 k2d,0.1,0.95,0.40,0.09,0.03,0.03,0.03,0.05,0.10 k2d,1,1.02,0.77,0.28,0.11,0.07,0.07,0.08,0.13 k2d,10,1.03,0.99,0.64,0.30,0.17,0.14,0.14,0.17 k2d,100,1.03,1.04,0.95,0.65,0.40,0.29,0.24,0.24 k2d,1000,1.03,1.05,1.05,0.95,0.76,0.57,0.43,0.39 k15,0.1,1.00,0.93,0.57,0.25,0.14,0.10,0.09,0.09 k15,1,1.00,1.00,0.85,0.49,0.29,0.19,0.16,0.15 k15,10,1.00,1.01,0.99,0.77,0.54,0.37,0.29,0.25 k15,100,1.00,1.01,1.02,0.92,0.81,0.64,0.51,0.42 k15,1000,1.00,1.01,1.02,0.94,0.93,0.88,0.79,0.68 -k15,0.1,1.01,0.94,0.55,0.24,0.14,0.10,0.10,0.12 -k15,1,1.01,1.01,0.82,0.45,0.27,0.19,0.17,0.17 -k15,10,1.00,1.01,0.98,0.72,0.48,0.34,0.28,0.26 -k15,100,1.00,1.01,1.02,0.90,0.75,0.57,0.46,0.40 -k15,1000,1.00,1.01,1.02,0.94,0.91,0.82,0.71,0.61 k14,0.1,1.03,0.92,0.49,0.21,0.11,0.08,0.07,0.08 k14,1,1.04,1.01,0.81,0.47,0.26,0.17,0.13,0.13 k14,10,1.04,1.03,0.99,0.81,0.53,0.35,0.26,0.22 k14,100,1.04,1.03,1.03,1.01,0.87,0.67,0.50,0.40 k14,1000,1.04,1.03,1.03,1.05,1.02,0.96,0.82,0.69 -k14,0.1,0.98,0.76,0.37,0.14,0.06,0.04,0.03,0.03 -k14,1,1.00,0.93,0.67,0.37,0.18,0.11,0.08,0.07 -k14,10,1.00,0.99,0.90,0.70,0.45,0.28,0.19,0.16 -k14,100,1.00,1.00,0.99,0.93,0.79,0.60,0.44,0.34 -k14,1000,1.00,1.00,1.01,1.00,0.97,0.91,0.78,0.66 k52,0.1,1.00,0.86,0.38,0.14,0.08,0.06,0.06,0.08 k52,1,1.00,0.99,0.72,0.35,0.18,0.12,0.11,0.13 k52,10,1.00,1.01,0.95,0.67,0.40,0.26,0.21,0.20 k52,100,1.00,1.01,1.02,0.93,0.72,0.51,0.38,0.33 k52,1000,1.00,1.01,1.02,1.00,0.96,0.83,0.66,0.55 -k52,0.1,0.99,0.51,0.13,0.04,0.03,0.03,0.05,0.09 -k52,1,1.02,0.83,0.34,0.13,0.07,0.07,0.08,0.12 -k52,10,1.02,0.99,0.68,0.32,0.18,0.14,0.14,0.16 -k52,100,1.02,1.03,0.95,0.64,0.40,0.28,0.23,0.23 -k52,1000,1.02,1.03,1.03,0.91,0.73,0.55,0.42,0.37 4-4MeP Initial Radical Deviations from the high-pressure limit for alpha=500 cm-1 Comma-separated values Rate,P (bar),500,700,900,1100,1300,1500,1700,1900 k1d,0.1,0.96,0.54,0.13,0.04,0.02,0.03,0.04,0.07 k1d,1,0.99,0.89,0.45,0.15,0.08,0.07,0.07,0.10 k1d,10,0.99,0.99,0.85,0.48,0.25,0.16,0.14,0.15 k1d,100,0.99,1.00,0.99,0.86,0.62,0.41,0.29,0.26 k1d,1000,0.99,1.00,1.00,0.98,0.92,0.79,0.60,0.49 k4d,0.1,0.92,0.36,0.07,0.03,0.02,0.03,0.05,0.09 k4d,1,1.00,0.72,0.24,0.09,0.06,0.06,0.08,0.12 k4d,10,1.01,0.95,0.58,0.26,0.15,0.12,0.13,0.16 k4d,100,1.01,1.01,0.90,0.59,0.35,0.25,0.23,0.24 k4d,1000,1.01,1.02,1.00,0.89,0.70,0.51,0.42,0.37 k5da,0.1,0.95,0.52,0.12,0.03,0.01,0.01,0.01,0.02 k5da,1,1.00,0.88,0.46,0.16,0.06,0.04,0.03,0.04 k5da,10,1.00,1.00,0.84,0.50,0.25,0.14,0.09,0.09 k5da,100,1.00,1.01,0.99,0.87,0.63,0.41,0.26,0.20 k5da,1000,1.00,1.02,1.02,1.00,0.93,0.80,0.59,0.47 k5db,0.1,0.96,0.56,0.14,0.04,0.02,0.01,0.02,0.02 k5db,1,1.00,0.90,0.49,0.17,0.07,0.04,0.04,0.04 k5db,10,1.01,1.00,0.86,0.51,0.26,0.15,0.10,0.09 k5db,100,1.01,1.01,0.99,0.84,0.62,0.41,0.28,0.22 k5db,1000,1.01,1.02,1.02,0.95,0.89,0.77,0.60,0.48 k2d,0.1,0.99,0.71,0.29,0.09,0.04,0.03,0.02,0.03 k2d,1,1.03,0.95,0.65,0.31,0.14,0.08,0.06,0.06 k2d,10,1.03,1.03,0.94,0.68,0.41,0.24,0.16,0.14 k2d,100,1.03,1.05,1.04,0.96,0.80,0.58,0.40,0.31 k2d,1000,1.03,1.05,1.06,1.04,1.02,0.94,0.75,0.62 k15,0.1,1.00,0.91,0.49,0.21,0.12,0.10,0.11,0.14 k15,1,1.00,1.00,0.79,0.42,0.25,0.18,0.17,0.19 k15,10,1.00,1.01,0.98,0.70,0.47,0.34,0.29,0.27 k15,100,1.00,1.01,1.02,0.90,0.76,0.59,0.48,0.41 k15,1000,1.00,1.01,1.02,0.94,0.92,0.85,0.74,0.64 -k15,0.1,1.00,0.92,0.54,0.23,0.12,0.08,0.07,0.07 -k15,1,1.00,1.00,0.83,0.46,0.26,0.17,0.14,0.13 -k15,10,1.00,1.01,0.98,0.74,0.50,0.34,0.26,0.22 -k15,100,1.00,1.01,1.01,0.90,0.77,0.60,0.47,0.39 -k15,1000,1.00,1.01,1.02,0.94,0.91,0.84,0.75,0.64 k14,0.1,1.03,0.88,0.41,0.17,0.10,0.08,0.09,0.12 k14,1,1.04,1.01,0.74,0.39,0.22,0.16,0.15,0.18 k14,10,1.04,1.03,0.97,0.73,0.46,0.32,0.26,0.26 k14,100,1.04,1.03,1.03,0.99,0.80,0.60,0.46,0.40 k14,1000,1.04,1.03,1.03,1.05,1.01,0.92,0.76,0.65 -k14,0.1,0.97,0.52,0.13,0.05,0.03,0.04,0.05,0.09 -k14,1,0.99,0.81,0.34,0.13,0.08,0.07,0.09,0.12 -k14,10,1.00,0.97,0.66,0.32,0.18,0.14,0.14,0.17 -k14,100,1.00,1.00,0.92,0.65,0.40,0.29,0.24,0.24 -k14,1000,1.00,1.00,1.00,0.92,0.73,0.55,0.42,0.37 k52,0.1,0.99,0.84,0.38,0.14,0.06,0.04,0.04,0.04 k52,1,1.00,0.98,0.72,0.36,0.18,0.11,0.08,0.08 k52,10,1.00,1.01,0.95,0.69,0.42,0.26,0.18,0.16 k52,100,1.00,1.01,1.01,0.93,0.76,0.55,0.39,0.31 k52,1000,1.00,1.01,1.02,1.00,0.96,0.86,0.71,0.59 -k52,0.1,1.00,0.78,0.35,0.12,0.05,0.03,0.02,0.03 -k52,1,1.02,0.96,0.69,0.33,0.15,0.09,0.06,0.06 -k52,10,1.02,1.02,0.94,0.67,0.40,0.24,0.16,0.13 -k52,100,1.02,1.03,1.02,0.92,0.76,0.55,0.38,0.30 -k52,1000,1.02,1.03,1.04,0.99,0.96,0.88,0.73,0.60 5-4MeP Initial Radical Deviations from the high-pressure limit for alpha=500 cm-1 Comma-separated values Rate,P (bar),500,700,900,1100,1300,1500,1700,1900 k1d,0.1,0.94,0.54,0.16,0.06,0.03,0.03,0.04,0.05 k1d,1,0.99,0.90,0.50,0.20,0.10,0.07,0.07,0.08 k1d,10,0.99,0.99,0.88,0.55,0.30,0.19,0.14,0.13 k1d,100,0.99,1.00,0.99,0.89,0.68,0.47,0.32,0.26 k1d,1000,0.99,1.00,1.00,0.97,0.94,0.83,0.64,0.52 k4d,0.1,0.95,0.62,0.25,0.09,0.05,0.03,0.04,0.04 k4d,1,1.00,0.88,0.58,0.28,0.15,0.09,0.08,0.08 k4d,10,1.01,0.99,0.87,0.62,0.39,0.25,0.19,0.17 k4d,100,1.01,1.01,0.99,0.89,0.74,0.55,0.43,0.34 k4d,1000,1.01,1.02,1.02,0.99,0.95,0.88,0.78,0.66 k5da,0.1,0.92,0.43,0.10,0.04,0.03,0.04,0.05,0.07 k5da,1,0.99,0.83,0.37,0.14,0.08,0.07,0.07,0.10 k5da,10,1.00,0.99,0.77,0.40,0.21,0.15,0.13,0.14 k5da,100,1.00,1.01,0.98,0.78,0.51,0.34,0.24,0.22 k5da,1000,1.00,1.02,1.02,0.98,0.86,0.68,0.48,0.39 k5db,0.1,0.94,0.47,0.12,0.05,0.03,0.04,0.05,0.08 k5db,1,1.00,0.85,0.40,0.15,0.08,0.07,0.08,0.10 k5db,10,1.01,0.99,0.78,0.40,0.22,0.15,0.14,0.15 k5db,100,1.01,1.01,0.98,0.76,0.50,0.34,0.26,0.23 k5db,1000,1.01,1.02,1.02,0.93,0.82,0.65,0.49,0.41 k2d,0.1,0.99,0.68,0.27,0.10,0.06,0.05,0.06,0.08 k2d,1,1.03,0.94,0.61,0.29,0.16,0.11,0.10,0.12 k2d,10,1.03,1.03,0.92,0.63,0.38,0.25,0.20,0.20 k2d,100,1.03,1.05,1.04,0.94,0.73,0.53,0.38,0.33 k2d,1000,1.03,1.05,1.06,1.04,1.00,0.88,0.68,0.57 k15,0.1,1.00,0.91,0.53,0.25,0.15,0.12,0.11,0.12 k15,1,1.00,1.00,0.82,0.47,0.29,0.21,0.18,0.17 k15,10,1.00,1.01,0.98,0.75,0.53,0.37,0.30,0.26 k15,100,1.00,1.01,1.02,0.91,0.80,0.63,0.51,0.42 k15,1000,1.00,1.01,1.02,0.94,0.93,0.87,0.78,0.67 -k15,0.1,1.00,0.85,0.45,0.22,0.15,0.12,0.13,0.16 -k15,1,1.00,0.98,0.73,0.40,0.26,0.20,0.19,0.21 -k15,10,1.00,1.01,0.94,0.65,0.44,0.33,0.29,0.28 -k15,100,1.00,1.01,1.01,0.86,0.68,0.53,0.44,0.39 -k15,1000,1.00,1.01,1.02,0.93,0.88,0.76,0.66,0.57 k14,0.1,1.03,0.88,0.45,0.22,0.13,0.10,0.09,0.11 k14,1,1.04,1.01,0.78,0.45,0.26,0.18,0.15,0.15 k14,10,1.04,1.03,0.98,0.79,0.52,0.36,0.27,0.24 k14,100,1.04,1.03,1.03,1.00,0.85,0.65,0.49,0.41 k14,1000,1.04,1.03,1.03,1.05,1.02,0.94,0.80,0.68 -k14,0.1,0.98,0.75,0.35,0.14,0.07,0.05,0.04,0.05 -k14,1,1.00,0.92,0.66,0.36,0.19,0.12,0.09,0.09 -k14,10,1.00,0.99,0.90,0.68,0.44,0.28,0.20,0.17 -k14,100,1.00,1.00,0.99,0.92,0.78,0.59,0.43,0.34 -k14,1000,1.00,1.00,1.01,1.00,0.97,0.90,0.77,0.64 k52,0.1,0.99,0.75,0.31,0.14,0.09,0.08,0.09,0.12 k52,1,1.00,0.95,0.62,0.31,0.18,0.14,0.14,0.16 k52,10,1.00,1.01,0.90,0.59,0.36,0.26,0.22,0.22 k52,100,1.00,1.01,1.01,0.87,0.65,0.47,0.36,0.32 k52,1000,1.00,1.01,1.02,0.99,0.91,0.76,0.60,0.51 -k52,0.1,1.00,0.77,0.33,0.12,0.07,0.05,0.06,0.08 -k52,1,1.02,0.96,0.66,0.31,0.16,0.11,0.10,0.12 -k52,10,1.02,1.02,0.93,0.63,0.37,0.25,0.19,0.19 -k52,100,1.02,1.03,1.02,0.90,0.70,0.50,0.37,0.31 -k52,1000,1.02,1.03,1.04,0.99,0.95,0.83,0.66,0.54 1-4MeP Enthalpy(298), 27.7 kJ mol-1 Frequencies Frequency(degeneracy) 2950(13) 1460(7) 1390 1375(2) 1338(2) 1278(2) 1170(3) 1150 940(2) 920 827(3) 700(5) Rotors Name, Moment of Inertia [amu*A*²], Symmetry, Dimension, Active [Yes/No], Hindrance [1/cm], Minima "Ia" 76.4556 1 1 Yes 0 1 "IbIc" 320.464 1 2 No 0 1 "CH2" 2 2 1 Yes 1364.06 3 "C2H5" 9 1 -1 Yes 1189.18 1 "C3H7" 12 1 -1 Yes 1364.06 2 "CH3-C5" 3 3 -1 Yes 1364.06 3 "CH3-C5" 3 3 -1 Yes 1364.06 3 2-4MeP Enthalpy(298), 1/cm=17.7 kJ mol-1 Frequencies Frequency(degeneracy) 2950(13) 1460(8) 1375(3) 1338(2) 1278(2) 1170(3) 1150 940(2) 827(3) 700(5) 265(4) Rotors Name, Moment of Inertia [amu*A*²], Symmetry, Dimension, Active [Yes/No], Hindrance [1/cm], Minima "Ia" 76.4556 1 1 Yes 0 1 "IbIc" 320.464 1 2 No 0 1 "CH3" 3 3 -1 Yes 1364.06 3 "C2H4" 8 1 1 Yes 1189.18 1 "C3H7" 12 1 -1 Yes 1364.06 2 "CH3-C5" 3 3 -1 Yes 1364.06 3 "CH3-C5" 3 3 -1 Yes 1364.06 3 4-4MeP Enthalpy(298), 1/cm=10.7 kJ mol-1 Frequencies Frequency(degeneracy) 2950(13) 1460(7) 1375(2) 1338(2) 1278(3) 1170(3) 1150 940(2) 920 827(3) 700(5) 265(4) Rotors Name, Moment of Inertia [amu*A*²], Symmetry, Dimension, Active [Yes/No], Hindrance [1/cm], Minima "Ia" 76.4556 1 1 Yes 0 1 "IbIc" 320.464 1 2 No 0 1 "CH3" 3 3 -1 Yes 1364.06 3 "C2H5" 9 1 -1 Yes 1189.18 1 "C3H6" 11 2 1 Yes 1364.06 2 "CH3" 3 3 -1 Yes 1364.06 3 "CH3" 3 3 -1 Yes 1364.06 3 5-4MeP Enthalpy(298), 27.7 kJ mol-1 Frequencies Frequency(degeneracy) 2950(13) 1460(7) 1390 1375(2) 1338(2) 1278(2) 1170(3) 1150 940(2) 920 827(3) 700(5) 265(4) Rotors Name, Moment of Inertia [amu*A*²], Symmetry, Dimension, Active [Yes/No], Hindrance [1/cm], Minima "Ia" 76.4556 1 1 Yes 0 1 "IbIc" 320.464 1 2 No 0 1 "CH3" 3 3 -1 Yes 1364.06 3 "C2H5" 9 1 -1 Yes 1189.18 1 "C3H7" 12 1 -1 Yes 1364.06 2 "CH2" 2 2 1 Yes 1364.06 3 "CH3" 3 3 -1 Yes 1364.06 3