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:190
Name:Dichloroprop
Description:
Labels:training, Organic_acids
CAS:120-36-5
InChi Code:InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3

experimental value

2.55

Eq1: Linear correlation with logP (Training set)

2.46

Eq2: Non-linear regression model (Training set)

2.06

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

Links to External Resources