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:46
Name:Decalin
Description:
Labels:training, Halogenated_cyclic_compounds
CAS:91-17-8
InChi Code:InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.67

experimental value

3.33

Eq1: Linear correlation with logP (Training set)

3.24

Eq2: Non-linear regression model (Training set)

3.24

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

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