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: | mol20 | |
|---|---|---|
| Name: | 2,2-dinitropropyl trinitrobutyrate | |
| Description: | ||
| Labels: | ||
| CAS: | 2555-56-8 | |
| InChi Code: | InChI=1S/C7H9N5O12/c1-6(8(14)15,9(16)17)4-24-5(13)2-3-7(10(18)19,11(20)21)12(22)23/h2-4H2,1H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 151 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.18 |
experimental value |
| 1.78 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |