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:225
Name:Dimethyl-2,3,5,6-tetrachloroterephthalate
Description:
Labels:training, Benzoates
CAS:1861-32-1
InChi Code:InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.7

experimental value

3.7

Eq1: Linear correlation with logP (Training set)

3.66

Eq2: Non-linear regression model (Training set)

3.66

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