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:265
Name:9-Methylanthracene
Description:
Labels:training, PAHs
CAS:779-02-2
InChi Code:InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
4.81

experimental value

4.1

Eq1: Linear correlation with logP (Training set)

4.14

Eq2: Non-linear regression model (Training set)

4.58

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

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