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:518
Name:Tetrapropyl dithiopyrophosphate
Description:
Labels:training, Organic_phosphides
CAS:3244-90-4
InChi Code:InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.8

experimental value

3.77

Eq1: Linear correlation with logP (Training set)

3.75

Eq2: Non-linear regression model (Training set)

3.75

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

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