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: | 105 | |
|---|---|---|
| Name: | 2,4,6-Trinitrotoluene | |
| Description: | ||
| Labels: | training, Nitrobenzenes | |
| CAS: | 118-96-7 | |
| InChi Code: | InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.7 |
experimental value |
| 1.61 |
Eq1: Linear correlation with logP (Training set) |
| 1.71 |
Eq2: Non-linear regression model (Training set) |
| 1.71 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024372 | US EPA CompTox Dashboard |