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: | mol35 | |
|---|---|---|
| Name: | 1,1,1,3-tetranitrobutane | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-36-0 | |
| InChi Code: | InChI=1S/C4H6N4O8/c1-3(5(9)10)2-4(6(11)12,7(13)14)8(15)16/h3H,2H2,1H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 33 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.52 |
experimental value |
| 1.39 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |