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:259
Name:1-Ethylnaphthalene
Description:
Labels:training, PAHs
CAS:1127-76-0
InChi Code:InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.8

experimental value

3.59

Eq1: Linear correlation with logP (Training set)

3.53

Eq2: Non-linear regression model (Training set)

3.97

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