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: | 158 | |
|---|---|---|
| Name: | 3-Methylaniline | |
| Description: | ||
| Labels: | training, Anilines | |
| CAS: | 108-44-1 | |
| InChi Code: | InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.41 |
experimental value |
| 1.7 |
Eq1: Linear correlation with logP (Training set) |
| 1.77 |
Eq2: Non-linear regression model (Training set) |
| 1.77 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1026792 | US EPA CompTox Dashboard |