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:249
Name:2,2',4,4',5,5'-Hexachlorobiphenyl
Description:
Labels:training, Biphenyls
CAS:35065-27-1
InChi Code:InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5.9

experimental value

5.19

Eq1: Linear correlation with logP (Training set)

5.35

Eq2: Non-linear regression model (Training set)

5.35

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

Links to External Resources