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:257
Name:Acenaphthylene
Description:
Labels:training, PAHs
CAS:208-96-8
InChi Code:InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.75

experimental value

3.44

Eq1: Linear correlation with logP (Training set)

3.35

Eq2: Non-linear regression model (Training set)

3.79

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

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