Evaluation of a Simple HPLC Correlation Method for the Estimation of the Octanol-Water Partition Coefficients of Organic Compounds

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Abstract
A simple reverse-phase high performance liquid chromatographic method is evaluated for the estimation of octanol-water partition coefficients (log P) of organic compounds by correlation with their chromatographic capacity factors (k''). Using an unmodified commercial octadecylsilane column and a mobile phase consisting of methanol and aqueous buffer, a linear relationship is established between the literature log P values of 68 compounds and the logarithms of their k'' values. For the determination of the partition coefficients of unknowns, one of the 2 sets of standards is used to calibrate the system, the choice being dependent on the H-bonding character of the compounds being evaluated. The overall method is rapid and widely adaptable and gives log P data which are comparable to results obtained by classical or other correlation methods.