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: | 401 | |
|---|---|---|
| Name: | 4-Bromo-N-(1,1-dimethyl-2-propynyl)benzamide | |
| Description: | ||
| Labels: | training, Benzamides | |
| CAS: | 80045-50-7 | |
| InChi Code: | InChI=1S/C12H12BrNO/c1-4-12(2,3)14-11(15)9-5-7-10(13)8-6-9/h1,5-8H,2-3H3,(H,14,15) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.01 |
experimental value |
| 2.64 |
Eq1: Linear correlation with logP (Training set) |
| 2.53 |
Eq2: Non-linear regression model (Training set) |
| 2.53 |
Eq3: Non-linear regression model with correction factors (Training set) |