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Comparison of screening methods for the estimation of adsorption coefficients on soil

: Müller, Martin; Kördel, Werner


Chemosphere 32 (1996), Nr.12, S.2493-2504
ISSN: 0045-6535
ISSN: 0366-7111
International Symposium on Chlorinated Dioxins and Related Compounds (Dioxin) <9, 1989, Toronto>
Konferenzbeitrag, Zeitschriftenaufsatz
Fraunhofer IUCT ( IME) ()
adsorption coefficient; HPLC; Koc; QSAR; soil sorption

The HPLC screening method for estimating soil sorption coefficients was compared to other QSAR approaches based on long Pow, connectivity indices, molar refraction and molecular fragment approaches. For the data set under consideration ( 66 compounds from different chemical classes ) only the HPLC screening method and, to a lesser extend, the log Pow method proved to be suitable for predicting soil sorption coefficients with acceptable accuracy. The HPLC method and the regression with log Pow were then cross-validated.