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: | 146 | |
|---|---|---|
| Name: | 4,5,6-Trichloroguaiacol | |
| Description: | ||
| Labels: | training, Phenols | |
| CAS: | 2668-24-8 | |
| InChi Code: | InChI=1S/C7H5Cl3O2/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2,11H,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.9 |
experimental value |
| 3.28 |
Eq1: Linear correlation with logP (Training set) |
| 3.19 |
Eq2: Non-linear regression model (Training set) |
| 3.19 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID00858745 | US EPA CompTox Dashboard |