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: | mol11 | |
|---|---|---|
| Name: | bis-(trinitroethoxy)-methane | |
| Description: | ||
| Labels: | ||
| CAS: | 6263-74-7 | |
| InChi Code: | InChI=1S/C5H6N6O14/c12-6(13)4(7(14)15,8(16)17)1-24-3-25-2-5(9(18)19,10(20)21)11(22)23/h1-3H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 17 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.23 |
experimental value |
| 1.22 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |