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:29
Name:Hexachloroethane
Description:
Labels:training, Halogenated_alkanes_and_alkenes
CAS:67-72-1
InChi Code:InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.3

experimental value

3.53

Eq1: Linear correlation with logP (Training set)

3.46

Eq2: Non-linear regression model (Training set)

3.15

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

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