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:217
Name:Dimethyl phthalate
Description:
Labels:training, Benzoates
CAS:131-11-3
InChi Code:InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.6

experimental value

1.72

Eq1: Linear correlation with logP (Training set)

1.78

Eq2: Non-linear regression model (Training set)

1.78

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

Links to External Resources