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. FanelliUltimo
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.Pubblicazioni consigliate
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