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:663
Name:2,3,7,8-Tetrachloro-dibenzodioxine
Description:
Labels:validation, Other_compounds
CAS:1746-01-6
InChi Code:InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
6.5

experimental value

4.86

Eq1: Linear correlation with logP (Validation set)

5.04

Eq2: Non-linear regression model (Validation set)

5.04

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