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: | 72 | |
|---|---|---|
| Name: | 1,3,4-Trimethylbenzene | |
| Description: | ||
| Labels: | training, Alkylbenzenes | |
| CAS: | 95-63-6 | |
| InChi Code: | InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 3.6 |
experimental value |
| 2.97 |
Eq1: Linear correlation with logP (Training set) |
| 2.86 |
Eq2: Non-linear regression model (Training set) |
| 2.86 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6021402 | US EPA CompTox Dashboard |