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: | mol18 | |
|---|---|---|
| Name: | N-(t-butyl)-trinitro-acetamide | |
| Description: | ||
| Labels: | ||
| CAS: | 870100-66-6 | |
| InChi Code: | InChI=1S/C6H10N4O7/c1-5(2,3)7-4(11)6(8(12)13,9(14)15)10(16)17/h1-3H3,(H,7,11) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 110 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.04 |
experimental value |
| 2.15 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |