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:649
Name:4,4'-DDT
Description:
Labels:validation, Other_compounds
CAS:50-29-3
InChi Code:InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5.31

experimental value

5.06

Eq1: Linear correlation with logP (Validation set)

5.24

Eq2: Non-linear regression model (Validation set)

5.24

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

Links to External Resources