Octanol-Water Partition Coefficients by Capillary Electrophoresis
Final rept. 1 Jul 94-30 Jun 97
FLORIDA STATE UNIV TALLAHASSEE DEPT OFCHEMISTRY
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We have investigated the use of capillary electrophoresis CE for the modeling of octanol-water partition coefficients. Reversed-phase liquid chromatography RPLC is likely the most used method for estimation of octanol-water partition coefficients, with correlations from approximately 0.5 to 0.000, depending on the column and compounds tested. RPLC will never be a reliable method, however, because of variability in the chemistry of the stationary phase from column to column. Capillary electrophoresis is a much simpler system, as there is no true stationary phase, and there should be dramatically less variation from laboratory to laboratory. We have shown that CE can give a single point estimate of the octanol-water partition coefficient. Specifically, micellar electrokinetic capillary chromatography MEKC, the micellar variant of the CE experiment, was evaluated as an a priori predictor of n-octanol-water partition coefficients log Kow.
- Physical Chemistry