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: | 39 | |
|---|---|---|
| Name: | Ethyl hexanoate | |
| Description: | ||
| Labels: | training, Esters | |
| CAS: | 123-66-0 | |
| InChi Code: | InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.06 |
experimental value |
| 2.47 |
Eq1: Linear correlation with logP (Training set) |
| 2.38 |
Eq2: Non-linear regression model (Training set) |
| 2.01 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3021980 | US EPA CompTox Dashboard |