je9b00726_si_001.pdf (713.81 kB)
Air–Water Partitioning of C5 and C6 Alkanones: Measurement, Critical Compilation, Correlation, and Recommended Data
journal contribution
posted on 2019-10-17, 13:03 authored by Štěpán Hovorka, Pavel Vrbka, Carolina Bermúdez-Salguero, Alexander Böhme, Vladimír DohnalAir–water
partitioning of all nine C5 and C6 isomeric alkanones
(namely, pentan-2-one, pentan-3-one, 3-methylbutan-2-one, hexan-2-one,
hexan-3-one, 3-methylpentan-2-one, 4-methylpentan-2-one, 2-methylpentan-3-one,
and 3,3-dimethylbutan-2-one) in water was examined at several temperatures
in the range from (273 to 333) K using the inert gas stripping technique.
Results are reported in the form of air–water partition coefficients Kaw and limiting (infinite dilution) activity
coefficients γ1∞. A comprehensive critical review is further presented
for such literature data as well as data on respective derivative
thermal properties (enthalpies and heat capacities of hydration and
dissolution). For each alkanone, the data measured in this work together
with those reported previously in the literature were correlated with
a suitable model equation providing an adequate simultaneous description
of the equilibrium measurements and the calorimetric information.
As a result, recommended Kaw(T) and γ1∞(T) temperature dependences of superior accuracy
were established. The variation of Kaw and γ1∞ with temperature and alkanone molecular structure was briefly discussed.
Furthermore, the performance of seven predictive approaches to estimate Kaw(T) and γ1∞(T) of the alkanones was tested.