Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.
Compound
| ID: | mol8 | |
|---|---|---|
| Name: | Methyl, 2,2,2-trinitroethyl carbonate | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-35-9 | |
| InChi Code: | InChI=1S/C4H5N3O9/c1-15-3(8)16-2-4(5(9)10,6(11)12)7(13)14/h2H2,1H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 28 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.45 |
experimental value |
| 1.74 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |