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:68
Name:Indane
Description:
Labels:training, Alkylbenzenes
CAS:496-11-7
InChi Code:InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.6

experimental value

2.88

Eq1: Linear correlation with logP (Training set)

2.77

Eq2: Non-linear regression model (Training set)

2.77

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

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