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:33
Name:trans-1,2-Dichloroethene
Description:
Labels:training, Halogenated_alkanes_and_alkenes
CAS:156-60-5
InChi Code:InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.8

experimental value

2.17

Eq1: Linear correlation with logP (Training set)

2.13

Eq2: Non-linear regression model (Training set)

1.82

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

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