This study reports the chromatographic quantification of some of the physicochemical parameters for the hexachlorobiphenyls, a group of polychlorinated biphenyls that differ only in the position of chlorine substitution, in order to predict the lipophilicity and subsequent biological activity of these xenobiotics. Various chromatographic methods have been used in this study for the determination of the physicochemical parameters. The partial mole fraction entropies and enthalpies of solution were determined by capillary gas chromatography using two stationary phases. Capacity factors were determined by reverse-phase high-performance liquid chromatography using two bonded packing materials. These data were used to predict 1-octanol/water partition coefficients. On the basis of these studies, gas chromatography is proposed as a superior method to predict lipophilicity since it is not influenced by the steric contributions from the bonded packing materials used in liquid chromatography. Preliminary studies have shown correlation between the partial free energy of solution in an ordered stationary liquid phase and published values for the in vivo induction of microsomal isoenzyme P-450c.
ASJC Scopus subject areas
- Environmental Chemistry