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: | mol42 | |
|---|---|---|
| Name: | Tris-(2,2,2-trinitroethyl) orthoformate | |
| Description: | ||
| Labels: | ||
| CAS: | 14548-59-5 | |
| InChi Code: | InChI=1S/C7H7N9O21/c17-8(18)5(9(19)20,10(21)22)1-35-4(36-2-6(11(23)24,12(25)26)13(27)28)37-3-7(14(29)30,15(31)32)16(33)34/h4H,1-3H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 7 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 0.85 |
experimental value |
| 0.93 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Validation set) |