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: | 645 | |
|---|---|---|
| Name: | Diethylstilbestrol | |
| Description: | ||
| Labels: | validation, Other_compounds | |
| CAS: | 56-53-1 | |
| InChi Code: | InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.14 |
experimental value |
| 3.92 |
Eq1: Linear correlation with logP (Validation set) |
| 3.92 |
Eq2: Non-linear regression model (Validation set) |
| 3.92 |
Eq3: Non-linear regression model with correction factors (Validation set) |