PREDICTION ADSORPTION COEFFICIENTS (KOC) FOR AROMATIC-COMPOUNDS BY HPLC RETENTION FACTORS (K')

The prediction of soil adsorption coefficients (Koc) of substituted ar omatic compounds including polar and non-polar chemicals via Reversed- Phased High Performance Liquid Chromatography (RP-HPLC) capacity facto rs (k') has been studied, including the effect of mobile phase composi tion and the inclusion of a variable which relates to non-hydrophobic interactions on the correlation between log Koc and log k'. Linear rel ationships are significantly improved when either the molecular connec tivity indices (MCI) relating to non-dispersive intermolecular interac tions or the hydrogen-bonding indicator variable is included in the co rrelation between log Koc and log k'. By using log k'w, a theoretical capacity factor which has been obtained by extrapolation of retention data in a binary solvent system to pure water eluent, the correlation between log Koc and log k'w is better than using log k'.