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:4
Name:1-Butanol
Description:
Labels:training, Alcohols
CAS:71-36-3
InChi Code:InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
0.5

experimental value

1.27

Eq1: Linear correlation with logP (Training set)

1.48

Eq2: Non-linear regression model (Training set)

0.7

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

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