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:155
Name:1,3-Benzenediol
Description:
Labels:training, Phenols
CAS:108-46-3
InChi Code:InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
0.98

experimental value

1.22

Eq1: Linear correlation with logP (Training set)

1.46

Eq2: Non-linear regression model (Training set)

1.46

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

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