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: | mol27 | |
|---|---|---|
| Name: | 2,2,2-trinitroethyl-4,4-dinitrohexanoate | |
| Description: | ||
| Labels: | ||
| CAS: | 71742-96-6 | |
| InChi Code: | InChI=1S/C8H11N5O12/c1-2-7(9(15)16,10(17)18)4-3-6(14)25-5-8(11(19)20,12(21)22)13(23)24/h2-5H2,1H3 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 138 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 2.14 |
experimental value |
| 2.02 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |