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: | 332 | |
|---|---|---|
| Name: | 3-Phenyl-1-cycloheptylurea | |
| Description: | ||
| Labels: | training, Phenylureas_and_methylureas | |
| CAS: | ||
| InChi Code: | InChI=1S/C14H20N2O/c17-14(16-13-10-6-3-7-11-13)15-12-8-4-1-2-5-9-12/h3,6-7,10-12H,1-2,4-5,8-9H2,(H2,15,16,17) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.37 |
experimental value |
| 2.99 |
Eq1: Linear correlation with logP (Training set) |
| 2.88 |
Eq2: Non-linear regression model (Training set) |
| 2.88 |
Eq3: Non-linear regression model with correction factors (Training set) |