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: | mol43 | |
|---|---|---|
| Name: | methylene-bis-[(trinitroethyl)-carbamate] | |
| Description: | Name in the article: methylene-bis-(trinitroethyl)-carbamate | |
| Labels: | ||
| CAS: | 89639-55-4 | |
| InChi Code: | InChI=1S/C7H8N8O16/c16-4(30-1-6(10(18)19,11(20)21)12(22)23)8-3-9-5(17)31-2-7(13(24)25,14(26)27)15(28)29/h1-3H2,(H,8,16)(H,9,17) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 27 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.43 |
experimental value |
| 1.61 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |