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: | 556 | |
|---|---|---|
| Name: | Molinate | |
| Description: | ||
| Labels: | training, Organic_sulfides | |
| CAS: | 2212-67-1 | |
| InChi Code: | InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.92 |
experimental value |
| 2.22 |
Eq1: Linear correlation with logP (Training set) |
| 2.16 |
Eq2: Non-linear regression model (Training set) |
| 2.16 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6024206 | US EPA CompTox Dashboard |