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: | mol19 | |
|---|---|---|
| Name: | 1,1,1,7,7,7-hexanitro-4-heptanone | |
| Description: | ||
| Labels: | ||
| CAS: | 15353-11-4 | |
| InChi Code: | InChI=1S/C7H8N6O13/c14-5(1-3-6(8(15)16,9(17)18)10(19)20)2-4-7(11(21)22,12(23)24)13(25)26/h1-4H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 34 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.53 |
experimental value |
| 1.4 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |