Group contribution models 1 -octanol-water partition coefficient

As an example of how this may be used, we return to the group contribution model for the octanol-water partition coefficient discussed above. As already shown, this model was quite good for monofunctional (i.e., only one nonalkyl group) solutes when applied to multiple functional solutes, the large deviations shown in Fig. 4a were found. The failure of the GCSKOW model is the result of strong proximity effects in multifunctional compounds. 

Lin, S.-T. and Sandler, S.l. (1999) Prediction of octanol-water partition coefficients using a group contribution solvation model. Ind. Eng. Chem. Res., 38, 4081 091. 

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