Air–Water Partitioning of C5 and C6 Alkanones: Measurement, Critical Compilation, Correlation, and Recommended Data
- Štěpán Hovorka*
- Pavel VrbkaPavel VrbkaDepartment of Physical Chemistry, University of Chemistry and Technology, Technická 5, 166 28 Praha 6, Prague, Czech RepublicMore by Pavel Vrbka
- Carolina Bermúdez-SalgueroCarolina Bermúdez-SalgueroDepartamento de Fisicoquímica, Facultad de Química, Universidad Nacional Autónoma de México, México, D.F. 04510, MexicoMore by Carolina Bermúdez-Salguero
- Alexander BöhmeAlexander BöhmeUFZ Department of Ecological Chemistry, Helmholtz Centre for Environmental Research, Permoserstr. 15, 04318 Leipzig, GermanyMore by Alexander Böhme
- , and
- Vladimír Dohnal
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 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.
This article is cited by 1 publications.
- Rolf Sander. Compilation of Henry's law constants (version 5.0.0) for water as solvent. Atmospheric Chemistry and Physics 2023, 23
, 10901-12440. https://doi.org/10.5194/acp-23-10901-2023