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: | 43 | |
|---|---|---|
| Name: | 2-Phenylethyl acetate | |
| Description: | Name changed according to CAS | |
| Labels: | training, Esters | |
| CAS: | 103-45-7 | |
| InChi Code: | InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.89 |
experimental value |
| 2.24 |
Eq1: Linear correlation with logP (Training set) |
| 2.18 |
Eq2: Non-linear regression model (Training set) |
| 1.81 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7044506 | US EPA CompTox Dashboard |