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: | mol10 | |
|---|---|---|
| Name: | Bis-(2,2,2-trinitroethyl) carbonate | |
| Description: | ||
| Labels: | ||
| CAS: | 17943-76-9 | |
| InChi Code: | InChI=1S/C5H4N6O15/c12-3(25-1-4(6(13)14,7(15)16)8(17)18)26-2-5(9(19)20,10(21)22)11(23)24/h1-2H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 16 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.2 |
experimental value |
| 1.06 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |