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: | mol22 | |
|---|---|---|
| Name: | bis-(2,2-dinitropropyl) carbonate | |
| Description: | ||
| Labels: | ||
| CAS: | 20598-86-1 | |
| InChi Code: | InChI=1S/C7H10N4O11/c1-6(8(13)14,9(15)16)3-21-5(12)22-4-7(2,10(17)18)11(19)20/h3-4H2,1-2H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 300 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.48 |
experimental value |
| 2.17 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |