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: | 321 | |
|---|---|---|
| Name: | 3-Methyl-4-bromophenylurea | |
| Description: | ||
| Labels: | training, Phenylureas_and_methylureas | |
| CAS: | 78508-46-0 | |
| InChi Code: | InChI=1S/C8H9BrN2O/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.37 |
experimental value |
| 2.24 |
Eq1: Linear correlation with logP (Training set) |
| 2.18 |
Eq2: Non-linear regression model (Training set) |
| 2.18 |
Eq3: Non-linear regression model with correction factors (Training set) |