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: | 103 | |
|---|---|---|
| Name: | Ethyl 3,5-dinitrobenzoate | |
| Description: | ||
| Labels: | training, Nitrobenzenes | |
| CAS: | 618-71-3 | |
| InChi Code: | InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.74 |
experimental value |
| 1.63 |
Eq1: Linear correlation with logP (Training set) |
| 1.72 |
Eq2: Non-linear regression model (Training set) |
| 1.72 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID20210801 | US EPA CompTox Dashboard |