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: | 214 | |
|---|---|---|
| Name: | Methyl benzoate | |
| Description: | ||
| Labels: | training, Benzoates | |
| CAS: | 93-58-3 | |
| InChi Code: | InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.1 |
experimental value |
| 1.97 |
Eq1: Linear correlation with logP (Training set) |
| 1.96 |
Eq2: Non-linear regression model (Training set) |
| 1.96 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5025572 | US EPA CompTox Dashboard |