Measured Koc values of 592 chemicals collected from literature were used to develop a sorption coefficient estimation model based on fragment constants plus structural correction factors. The results showed that Koc of organic chemicals can be well estimated based on the fragment constant modeling. For the 592 chemicals, the coefficient of determination of the regression model was as high as 0.9696 with a mean absolute error of 0.37 log-unit.
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Piao Hai-shan, Tao Shu, Hu Hai-ying, Lu Xiao-xia, Ye Sheng-fa. FRAGMENT CONSTANT MODEL FOR Koc ESTIMATION[J]. Acta Pedologica Sinica,2000,37(2):209-216.