PARTIAL MOLAR VOLUMES OF HYDROPHOBIC COMPOUNDS - INSIGHT INTO THE SOLVATION SHELL - PART-I

A simple model for the interaction of the solute with the solvent is p resented. The relation between the molecular volume, partial molar vol ume, and the volume of the solvation shell of the compound studied is expressed by the alpha parameter, defined as the relative density of t he solvation shell. The values of alpha are calculated for many organi c compounds in aqueous solutions. It is stated that in a given series of compounds, alpha depends strongly on the number of CH2 groups in th e compound studied. The correlation of alpha and the polarity (defined as the ratio of the surface area of polar groups and atoms exposed to the total molecular surface area of the molecule studied) was found.