Structural and chromatographic predictors of n-octanol/water partition coefficients

The estimation of octanol/water coefficients by means of chromatographic and structural parameters may be a useful method for the prediction of ecotoxicological behaviour of chemical compounds. Experimental aspects and validity of some parameters are discussed with respect to heterocyclic aromatic hydrocarbons, including benzofurans. It is concluded that reverse phase chromatographic systems and molecular connectivities are promising predictors of log K_ow.