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:695
Name:Diphenylamine
Description:
Labels:validation, Other_compounds
CAS:122-39-4
InChi Code:InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.78

experimental value

2.88

Eq1: Linear correlation with logP (Validation set)

2.76

Eq2: Non-linear regression model (Validation set)

2.76

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

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