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: | 125 | |
|---|---|---|
| Name: | 2,3,5-Trimethylphenol | |
| Description: | ||
| Labels: | training, Phenols | |
| CAS: | 697-82-5 | |
| InChi Code: | InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.6 |
experimental value |
| 2.55 |
Eq1: Linear correlation with logP (Training set) |
| 2.45 |
Eq2: Non-linear regression model (Training set) |
| 2.45 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3047184 | US EPA CompTox Dashboard |