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:179
Name:N,N-Dimethylaniline
Description:
Labels:training, Anilines
CAS:121-69-7
InChi Code:InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.3

experimental value

2.33

Eq1: Linear correlation with logP (Training set)

2.26

Eq2: Non-linear regression model (Training set)

2.26

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

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