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:27
Name:1,1,2,2-Tetrachloroethane
Description:
Labels:training, Halogenated_alkanes_and_alkenes
CAS:79-34-5
InChi Code:InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.9

experimental value

2.27

Eq1: Linear correlation with logP (Training set)

2.21

Eq2: Non-linear regression model (Training set)

1.9

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

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