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:212
Name:Tetrachlorophthalate
Description:
Labels:training, Organic_acids
CAS:632-58-6
InChi Code:InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.3

experimental value

2.84

Eq1: Linear correlation with logP (Training set)

2.73

Eq2: Non-linear regression model (Training set)

2.33

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