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: | mol5 | |
|---|---|---|
| Name: | 2,2,4,6,6-pentanitroheptane | |
| Description: | ||
| Labels: | ||
| CAS: | 2016-73-1 | |
| InChi Code: | InChI=1S/C7H11N5O10/c1-6(9(15)16,10(17)18)3-5(8(13)14)4-7(2,11(19)20)12(21)22/h5H,3-4H2,1-2H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 56 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.75 |
experimental value |
| 1.85 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |