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: | mol4 | |
|---|---|---|
| Name: | 2,2,4,4,6,6-hexanitroheptane | |
| Description: | ||
| Labels: | ||
| CAS: | 20446-89-3 | |
| InChi Code: | InChI=1S/C7H10N6O12/c1-5(8(14)15,9(16)17)3-7(12(22)23,13(24)25)4-6(2,10(18)19)11(20)21/h3-4H2,1-2H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 29 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.46 |
experimental value |
| 1.55 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |