, Volume 41, Issue 4, pp 730-740
Date: 05 Apr 2012

Equations for the Partition of Neutral Molecules, Ions and Ionic Species from Water to Water–Ethanol Mixtures

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Abstract

Equations set up for the transfer of neutral solutes from water to water–ethanol mixtures can also be used to correlate the transfer of ions and ionic species, as log10 P, where P is the partition coefficient. Only two additional terms are required in the equations, one for anions and one for cations. The extended equations can fit log10 P values for anions and cations with a standard deviation of about 0.2 to 0.3 log units for transfer of 41 anions and cations from water to various water–ethanol mixtures from 10 % ethanol to 100 % ethanol by volume. The log10 P values for carboxylate anions and protonated amine cations as obtained from the variation of pK a with solvent are quite compatible with log10 P values for simple anions and cations.