P. Ruelle et Uw. Kesselring, NONLINEAR DEPENDENCE OF THE SOLUBILITY OF WATER IN HYDROCARBONS ON THE MOLAR VOLUME OF THE HYDROCARBON, Journal of solution chemistry, 25(7), 1996, pp. 657-665
The solubility of water in fifty hydrocarbon solvents at 20 degrees C
is estimated by means of the solubility equation derived from the ther
modynamics of mobile order in H-bonded liquids. Neglecting the change
in nonspecific cohesion forces, and assuming that water is primarily m
onomeric in solution, the prediction accounts for two main effects: th
e breaking of the H-bond network linking the water solute molecules to
gether and the entropy of exchange between water and solvent molecules
in solution. The formation of a weak O-H ... pi hydrogen bond interac
tion is moreover taken into account according to whether the hydrocarb
on is saturated or not. The overall predictive equation foresees a non
-linear dependence of the water solubility on the molar volume of the
hydrocarbon, Several rules are presented regarding the water solubilit
y-hydrocarbon structure relationship.