S. Maassen et al., DETERMINATION AND CORRELATION OF HENRYS LAW COEFFICIENTS, ACTIVITY-COEFFICIENTS AND DISTRIBUTION COEFFICIENTS FOR ENVIRONMENTAL USE, Fluid phase equilibria, 116(1-2), 1996, pp. 354-360
Henry coefficients and limiting activity coefficients of some alkanes
and 31 chloro-fluoro derivatives of these alkanes in water, 1-octanol,
tricaprylin, n-nonane and water-1-octanol mixtures have been determin
ed using a gas solubility apparatus and a gas liquid chromatography ap
paratus. The experimental data have been used to calculate distributio
n coefficients of the solutes between octanol and water, tricaprylin a
nd water, n-nonane and water. The experimental program and methods are
described. Some of the results are presented in diagrams showing limi
ting activity coefficients of methane derivatives in 1-octanol and of
1,1-difluoroethane in water-octanol mixtures as well as a comparison o
f tricaprylin-water and octanol-water distribution coefficients, Corre
lations for distribution coefficients based on van der Waals volumes a
nd electrostatic parameters of the solute molecules and on parameters
calculated with the so called COnductorlike Screening MOdel (COSMO) we
re compared with experimental data of the octanol-water system.