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: | 563 | |
|---|---|---|
| Name: | Diallate | |
| Description: | ||
| Labels: | training, Organic_sulfides | |
| CAS: | 2303-16-4 | |
| InChi Code: | InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5- |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.28 |
experimental value |
| 3.25 |
Eq1: Linear correlation with logP (Training set) |
| 3.15 |
Eq2: Non-linear regression model (Training set) |
| 3.15 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020391 | US EPA CompTox Dashboard |