Re: CCL:About octanol/water partition coefficient (Kow)



To be honest, I do not exactly understand what you are looking for. But
 our COSMOtherm program (see www.cosmologic.de) is able to predict
 general partition coefficients of almost arbitrary organic compounds
 between almost arbitrary phases at variable temperature, just based on
 quantum chemical calculations.
 Andreas
 Jinsong Zhao wrote:
 >Dear all,
 >
 >As you know, now the octanol/water partition
 >coefficient, i.e., Kow, could be calculated using many
 >programs.
 >
 >However, those softwares just give the Kow of a sigle
 >organic chemical in the octanol/water system. I am
 >very interested in the prediction for the Kow of two
 >or more organic chemicals in such system.
 >
 >Is it possible to do the prediction? Any suggestions
 >or comments will be welcome!
 >
 >Thanks in advance!
 >
 >Regards,
 >
 >Jinsong
 >
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