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:600
Name:2-Butoxyethanol
Description:
Labels:validation, Other_compounds
CAS:111-76-2
InChi Code:InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.83

experimental value

1.24

Eq1: Linear correlation with logP (Validation set)

1.47

Eq2: Non-linear regression model (Validation set)

1.47

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

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