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:512
Name:TEDP
Description:
Labels:training, Organic_phosphides
CAS:3689-24-5
InChi Code:InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.7

experimental value

2.47

Eq1: Linear correlation with logP (Training set)

2.38

Eq2: Non-linear regression model (Training set)

2.38

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