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: | 322 | |
|---|---|---|
| Name: | 3-Trifluoromethylphenylurea | |
| Description: | ||
| Labels: | training, Phenylureas_and_methylureas | |
| CAS: | 13114-87-9 | |
| InChi Code: | InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.98 |
experimental value |
| 1.94 |
Eq1: Linear correlation with logP (Training set) |
| 1.95 |
Eq2: Non-linear regression model (Training set) |
| 1.95 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0065355 | US EPA CompTox Dashboard |