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: | mol29 | |
|---|---|---|
| Name: | tetrakis(2,2,2-trinitroethyl) orthocarbonate | |
| Description: | ||
| Labels: | ||
| CAS: | 14548-58-4 | |
| InChi Code: | InChI=1S/C9H8N12O28/c22-10(23)5(11(24)25,12(26)27)1-46-9(47-2-6(13(28)29,14(30)31)15(32)33,48-3-7(16(34)35,17(36)37)18(38)39)49-4-8(19(40)41,20(42)43)21(44)45/h1-4H2 |
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 |
| 0.66 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |