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:180
Name:N,N-Diethylaniline
Description:
Labels:training, Anilines
CAS:91-66-7
InChi Code:InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.08

experimental value

2.98

Eq1: Linear correlation with logP (Training set)

2.87

Eq2: Non-linear regression model (Training set)

2.87

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

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