10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:238
Name:2,4,2'-Trichlorobiphenyl
Description:
Labels:training, Biphenyls
CAS:37680-66-3
InChi Code:InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.84

experimental value

4.31

Eq1: Linear correlation with logP (Training set)

4.40

Eq2: Non-linear regression model (Training set)

4.4

Eq3: Non-linear regression model with correction factors (Training set)