Prediction adsorption coefficients (KOC) for aromatic compounds by HPLC retention factors (K′)
ChemospherePublished 1 January 1996
Hui Hong, Liansheng Wang, Shuokui Han, Gongwei Zou
Citations33
SJR quartileQ1
SJR score1.90
SNIP1.54
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Abstract
The prediction of soil adsorption coefficients (Koc) of substituted aromatic compounds including polar and non-polar chemicals via Reversed-Phased High Performance Liquid Chromatography (RP-HPLC) capacity factors (k′) has been studied, including the effect of mobile phase composition and the inclusion of a variable which relates to non-hydrophobic interactions on the correlation between log Koc and log k'. Linear relationships are significantly improved when either the molecular connectivity indices (MCI) relating to non-dispersive intermolecular interactions or the hydrogen-bonding indicator variable is included in the correlation 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′.
Keywords
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