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: | mol25 | |
|---|---|---|
| Name: | trinitroethyl-bis-(trinitroethoxy)-acetate | |
| Description: | ||
| Labels: | ||
| CAS: | 59373-75-0 | |
| InChi Code: | InChI=1S/C8H7N9O22/c18-4(37-1-6(9(19)20,10(21)22)11(23)24)5(38-2-7(12(25)26,13(27)28)14(29)30)39-3-8(15(31)32,16(33)34)17(35)36/h5H,1-3H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 6 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 0.78 |
experimental value |
| 1.02 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |