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:251
Name:Hexabromobiphenyl
Description:
Labels:training, Biphenyls
CAS:59261-08-4
InChi Code:InChI=1S/C12H4Br6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.87

experimental value

6.47

Eq1: Linear correlation with logP (Training set)

3.93

Eq2: Non-linear regression model (Training set)

3.93

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