The precise determination of Kow (n-octanol/water partition coefficient) of a molecule is a key point in the study of the environmental behaviour and fate of xenobiotics in the environment. Literature data are usually scarce and often unreliable. In this work, dealing with s-triazines, a comparison is made between Kow values obtained by HPLC and the fragmental constants method. Once the fragment values for the s-triazine ring were obtained the use of parameters and molecular descriptors (GC-retention times and molecular connectivity indices) for the estimation of Kow were evaluated.

Different approaches for the evaluation of Kow for s-triazine herbicides / A. Finizio, A. Di Guardo, A. Arnoldi, M. Vighi, R. Fanelli. - In: CHEMOSPHERE. - ISSN 0045-6535. - 23:6(1991), pp. 801-812.

Different approaches for the evaluation of Kow for s-triazine herbicides

A. Arnoldi;R. Fanelli
1991

Abstract

The precise determination of Kow (n-octanol/water partition coefficient) of a molecule is a key point in the study of the environmental behaviour and fate of xenobiotics in the environment. Literature data are usually scarce and often unreliable. In this work, dealing with s-triazines, a comparison is made between Kow values obtained by HPLC and the fragmental constants method. Once the fragment values for the s-triazine ring were obtained the use of parameters and molecular descriptors (GC-retention times and molecular connectivity indices) for the estimation of Kow were evaluated.
Settore CHIM/10 - Chimica degli Alimenti
CHEMOSPHERE
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/181680
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