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:667
Name:9-Anthracenemethanol
Description:
Labels:validation, Other_compounds
CAS:1468-95-7
InChi Code:InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.61

experimental value

3.13

Eq1: Linear correlation with logP (Validation set)

3.02

Eq2: Non-linear regression model (Validation set)

3.02

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

Links to External Resources