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: | mol1 | |
|---|---|---|
| Name: | 1,1,1,3,5,5,5-heptanitropentane | |
| Description: | ||
| Labels: | ||
| CAS: | 20919-99-7 | |
| InChi Code: | InChI=1S/C5H5N7O14/c13-6(14)3(1-4(7(15)16,8(17)18)9(19)20)2-5(10(21)22,11(23)24)12(25)26/h3H,1-2H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 8 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 0.9 |
experimental value |
| 0.75 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXCID6097570 | US EPA CompTox Dashboard |