Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

Air-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 K aw and limiting (infinite dilution) activity coefficients 1 . A comprehensive critical review is further presented of 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 adequate simultaneous description of the equilibrium measurements and the calorimetric information. As a result, recommended temperature dependences K aw (T ) and 1 (T ) of superior accuracy were established. The variation of K aw and 1 with temperature and alkanone molecular structure was overviewed and briefly discussed. Furthermore, the performance of six predictive approaches to estimate K aw (T ) and 1 (T ) of the alkanones was tested.