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: | mol38 | |
|---|---|---|
| Name: | 5,5,5-trinitro-2-pentanone | |
| Description: | ||
| Labels: | ||
| CAS: | 5029-48-1 | |
| InChi Code: | InChI=1S/C5H7N3O7/c1-4(9)2-3-5(6(10)11,7(12)13)8(14)15/h2-3H2,1H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 125 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.1 |
experimental value |
| 1.83 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXCID30120785 | US EPA CompTox Dashboard |