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:26
Name:1,1,2-Trichloroethane
Description:
Labels:training, Halogenated_alkanes_and_alkenes
CAS:79-00-5
InChi Code:InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.8

experimental value

2

Eq1: Linear correlation with logP (Training set)

1.99

Eq2: Non-linear regression model (Training set)

1.68

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

Links to External Resources