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: | mol47 | |
|---|---|---|
| Name: | Bis-(2,2-dinitropropyl)-oxalate | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-49-5 | |
| InChi Code: | InChI=1S/C8H10N4O12/c1-7(9(15)16,10(17)18)3-23-5(13)6(14)24-4-8(2,11(19)20)12(21)22/h3-4H2,1-2H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 227 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.36 |
experimental value |
| 2.26 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |