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: | mol34 | |
|---|---|---|
| Name: | Bis-(2,2,2-trinitroethyl)-4,4,6,6,8,8-hexanitro-undecanedioate | |
| Description: | ||
| Labels: | ||
| CAS: | 71706-47-3 | |
| InChi Code: | InChI=1S/C15H16N12O28/c28-9(54-7-14(22(42)43,23(44)45)24(46)47)1-3-11(16(30)31,17(32)33)5-13(20(38)39,21(40)41)6-12(18(34)35,19(36)37)4-2-10(29)55-8-15(25(48)49,26(50)51)27(52)53/h1-8H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 32 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.51 |
experimental value |
| 1.6 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |