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: | 399 | |
|---|---|---|
| Name: | 4-Isopropyl-N-(1,1-dimethyl-2-propynyl)benzamide | |
| Description: | ||
| Labels: | training, Benzamides | |
| CAS: | 80045-52-9 | |
| InChi Code: | InChI=1S/C15H19NO/c1-6-15(4,5)16-14(17)13-9-7-12(8-10-13)11(2)3/h1,7-11H,2-5H3,(H,16,17) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.17 |
experimental value |
| 2.75 |
Eq1: Linear correlation with logP (Training set) |
| 2.64 |
Eq2: Non-linear regression model (Training set) |
| 2.64 |
Eq3: Non-linear regression model with correction factors (Training set) |