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: | mol40 | |
|---|---|---|
| Name: | 2,2,2-Trinitroethyl-4,4,4-trinitrobutyrate | |
| Description: | ||
| Labels: | ||
| CAS: | 866-65-9 | |
| InChi Code: | InChI=1S/C6H6N6O14/c13-4(1-2-5(7(14)15,8(16)17)9(18)19)26-3-6(10(20)21,11(22)23)12(24)25/h1-3H2 |
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 |
| 1.23 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |