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

From: Andreas Klamt <klamt*at*cosmologic.de>
Date: Wed, 02 Jul 2003 07:28:48 +0200

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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-- 
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COSMOlogic GmbH&CoKG
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