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: | mol7 | |
|---|---|---|
| Name: | 2,2-Dinitro-1,3-propane-diol | |
| Description: | ||
| Labels: | ||
| CAS: | 2736-80-3 | |
| InChi Code: | InChI=1S/C3H6N2O6/c6-1-3(2-7,4(8)9)5(10)11/h6-7H,1-2H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 110 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.04 |
experimental value |
| 1.98 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |