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: | mol28 | |
|---|---|---|
| Name: | 2-nitroisobutyl 4,4,4-trinitrobutyrate | |
| Description: | ||
| Labels: | ||
| CAS: | 34001-51-9 | |
| InChi Code: | InChI=1S/C8H12N4O10/c1-7(2,9(14)15)5-22-6(13)3-4-8(10(16)17,11(18)19)12(20)21/h3-5H2,1-2H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 279 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.45 |
experimental value |
| 2.33 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |