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: | 101 | |
|---|---|---|
| Name: | Ethyl 4-nitrobenzoate | |
| Description: | ||
| Labels: | training, Nitrobenzenes | |
| CAS: | 99-77-4 | |
| InChi Code: | InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.48 |
experimental value |
| 2.32 |
Eq1: Linear correlation with logP (Training set) |
| 2.25 |
Eq2: Non-linear regression model (Training set) |
| 2.25 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1052666 | US EPA CompTox Dashboard |