Abstract
Abstract The partition coefficients (log Kow) in n-octanol/water, together with the HPLC capacity factors (k′) measured on a C18 column, using methanol-water mobile phase of different compositions, were determined for 27 aromatic sulfur-containing compounds. The linear relationship between the log k′ values and the percentage of the methanol in the eluent was tested for each compound. The best percentage of methanol (61%), by which the chromatographic partition system became the best model of the n-octanol/water partition system, was determined. Various molecular connectivity indices (MCI's) were calculated for the compounds and good correlations were established between MCI's and log Kow and log k′. The present correlations can be used to predict partition coefficients and HPLC retention values for other derivatives.
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