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:661
Name:4,4'-Methylene dianiline
Description:
Labels:validation, Other_compounds
CAS:101-77-9
InChi Code:InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.99

experimental value

2.16

Eq1: Linear correlation with logP (Validation set)

2.12

Eq2: Non-linear regression model (Validation set)

2.12

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