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: | mol6 | |
|---|---|---|
| Name: | 2,2,2-Trinitroethyl carbamate | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-34-8 | |
| InChi Code: | InChI=1S/C3H4N4O8/c4-2(8)15-1-3(5(9)10,6(11)12)7(13)14/h1H2,(H2,4,8) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 18 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.26 |
experimental value |
| 1.43 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |