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: | mol3 | |
|---|---|---|
| Name: | 3,3,4,4-tetranitrohexane | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-48-4 | |
| InChi Code: | InChI=1S/C6H10N4O8/c1-3-5(7(11)12,8(13)14)6(4-2,9(15)16)10(17)18/h3-4H2,1-2H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 80 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.9 |
experimental value |
| 1.91 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |