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:633
Name:1,4-Dichloro-2,5-dimethoxybenzene
Description:
Labels:validation, Other_compounds
CAS:2675-77-6
InChi Code:InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.1

experimental value

2.91

Eq1: Linear correlation with logP (Validation set)

2.79

Eq2: Non-linear regression model (Validation set)

2.79

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

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