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:11
Name:1-Decanol
Description:
Labels:training, Alcohols
CAS:112-30-1
InChi Code:InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.59

experimental value

3.23

Eq1: Linear correlation with logP (Training set)

3.12

Eq2: Non-linear regression model (Training set)

2.34

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

Links to External Resources