Abstract

Soil sorption coefficients for nonpolar compounds easily can be modelled with log P OW or with connectivity indices. This is not the case for polar compounds: for polar substances either compound class dependent models or models using correction factors based on substructures are described in the literature. In the present study a systematic search on multiple linear regression models using log P OW and several quantum chemical descriptors was performed to model the log K OC for a set of 66 substances from different compound classes (pesticides and other nonpolar and polar chemicals. It is shown that the soil sorption coefficient K OC can be modelled with one equation for the whole data set.

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