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: | mol26 | |
|---|---|---|
| Name: | 4,4,4-trinitrobutyric acid anhydride | |
| Description: | ||
| Labels: | ||
| CAS: | 7769-34-8 | |
| InChi Code: | InChI=1S/C8H8N6O15/c15-5(1-3-7(9(17)18,10(19)20)11(21)22)29-6(16)2-4-8(12(23)24,13(25)26)14(27)28/h1-4H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 30 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.48 |
experimental value |
| 1.58 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |