Predicted Mutual Solubilities in Water + C5-C12 Hydrocarbon Systems. Results at 298 K

Abstract

Mutual solubilities of water with n-alkanes, cycloalkanes, iso-alkanes (branched alkanes), alkenes, alkynes, alkadienes, and alkylbenzenes were calculated at 298 K for 153 systems not yet measured. Recommended data for 64 systems reported in the literature were compared with the predicted values. The solubility of the hydrocarbons in water was calculated with a thermodynamically based equation, which depends on specific properties of the hydrocarbon. The concentration in the second coexisting liquid phase (water in hydrocarbon) was calculated using liquid-liquid equilibrium with an equation of state, which takes into account the self-association of water and co-association of water with π-bonds of the hydrocarbons.