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:25
Name:1,1,1-Trichloroethane
Description:
Labels:training, Halogenated_alkanes_and_alkenes
CAS:71-55-6
InChi Code:InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2

experimental value

2.15

Eq1: Linear correlation with logP (Training set)

2.11

Eq2: Non-linear regression model (Training set)

1.8

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

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