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: | mol41 | |
|---|---|---|
| Name: | trinitroethyl 2,2-dinitropropyl carbonate | |
| Description: | ||
| Labels: | ||
| CAS: | 79912-60-0 | |
| InChi Code: | InChI=1S/C6H7N5O13/c1-5(7(13)14,8(15)16)2-23-4(12)24-3-6(9(17)18,10(19)20)11(21)22/h2-3H2,1H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 15 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.18 |
experimental value |
| 1.62 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |