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: | mol16 | |
|---|---|---|
| Name: | N-trinitroethyl-4,4,4-trinitrobutyramide | |
| Description: | ||
| Labels: | ||
| CAS: | 89415-40-7 | |
| InChi Code: | InChI=1S/C6H7N7O13/c14-4(1-2-5(8(15)16,9(17)18)10(19)20)7-3-6(11(21)22,12(23)24)13(25)26/h1-3H2,(H,7,14) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 18 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.26 |
experimental value |
| 1.24 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |