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:625
Name:1-Hydroxymethylnaphthalene
Description:
Labels:validation, Other_compounds
CAS:4780-79-4
InChi Code:InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.17

experimental value

2.29

Eq1: Linear correlation with logP (Validation set)

2.22

Eq2: Non-linear regression model (Validation set)

2.22

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

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