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:256
Name:1-Methylnaphthalene
Description:
Labels:training, PAHs
CAS:90-12-0
InChi Code:InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.4

experimental value

3.26

Eq1: Linear correlation with logP (Training set)

3.16

Eq2: Non-linear regression model (Training set)

3.6

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

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