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: | 182 | |
|---|---|---|
| Name: | Hexanoic acid | |
| Description: | ||
| Labels: | training, Organic_acids | |
| CAS: | 142-62-1 | |
| InChi Code: | InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.46 |
experimental value |
| 1.7 |
Eq1: Linear correlation with logP (Training set) |
| 1.77 |
Eq2: Non-linear regression model (Training set) |
| 1.37 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021607 | US EPA CompTox Dashboard |