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: | 394 | |
|---|---|---|
| Name: | n-(1,1-Dimethyl-2-propynyl)benzamide | |
| Description: | ||
| Labels: | training, Benzamides | |
| CAS: | 33244-86-9 | |
| InChi Code: | InChI=1S/C12H13NO/c1-4-12(2,3)13-11(14)10-8-6-5-7-9-10/h1,5-9H,2-3H3,(H,13,14) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.54 |
experimental value |
| 1.97 |
Eq1: Linear correlation with logP (Training set) |
| 1.97 |
Eq2: Non-linear regression model (Training set) |
| 1.97 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID20186895 | US EPA CompTox Dashboard |