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:83
Name:1,3-Dichlorobenzene
Description:
Labels:training, Halogenated_benzenes
CAS:541-73-1
InChi Code:InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.5

experimental value

2.9

Eq1: Linear correlation with logP (Training set)

2.79

Eq2: Non-linear regression model (Training set)

2.79

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

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