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:254
Name:Naphthalene
Description:
Labels:training, PAHs
CAS:91-20-3
InChi Code:InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.88

experimental value

2.98

Eq1: Linear correlation with logP (Training set)

2.87

Eq2: Non-linear regression model (Training set)

3.31

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

Links to External Resources