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: | 100 | |
|---|---|---|
| Name: | Pentachloronitrobenzene | |
| Description: | ||
| Labels: | training, Nitrobenzenes | |
| CAS: | 82-68-8 | |
| InChi Code: | InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 4.3 |
experimental value |
| 3.49 |
Eq1: Linear correlation with logP (Training set) |
| 3.41 |
Eq2: Non-linear regression model (Training set) |
| 3.41 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021105 | US EPA CompTox Dashboard |