Table 2. Physical and Detonation Properties of the Newly Designed Amine-like Catenated Nitrogen Compounds as Explosives.
| compounds | OBa [%] | Nb [%] | ρc [g/cm3] | ΔHfd[kJ/mol] | VDe [m/s] | Pf [GPa] | Qg [kJ/kg] | Isph [s] |
|---|---|---|---|---|---|---|---|---|
| N(N3)3 | 0 | 100.00 | 1.61 | 1344.90 | 9854.5 | 39.1 | 9643 | 358.4 |
| N(NH2)3 | –77.31 | 90.25 | 1.25 | 274.10 | 9482.7 | 25.5 | 5988 | 270.8 |
| N(NO2)3 | 63.14 | 36.85 | 1.90 | 328.60 | 7401.2 | 21.2 | 2238 | 183.8 |
| N(NO)3 | 46.14 | 53.86 | 1.73 | 482.30 | 8212.3 | 26.8 | 4622 | 254.0 |
| N(NF2)3 | 28.23 | 32.95 | 2.26 | 230.20 | 5769.7 | 16.8 | 2854 | 154.9 |
| N(tetrazin-3-yl)3 | –83.98 | 70.80 | 1.73 | 1386.2 | 8322.0 (8017.8) | 26.4 (23.5) | (4963) | (234.2) |
| A1 | 0 | 100.00 | 1.79 | 1977.99 | 10523.2 | 47.0 | 8902 | 345.9 |
| A2 | 17.64 | 82.36 | 1.92 | 2218.29 | 10633.3 | 50.6 | 8051 | 321.5 |
| B1 | –54.26 | 82.34 | 1.71 | 1549.93 | 9238.9 | 32.9 | 6838 | 280.3 |
| B2 | 0 | 62.93 | 1.89 | 1865.36 | 10080.1 | 44.9 | 8118 | 300.5 |
| B3 | –42.72 | 89.53 | 1.75 | 1911.22 | 9441.3 | 37.5 | 7078 | 286.6 |
| B4 | –12.83 | 48.67 | 2.04 | 1779.86 | 9106.7 | 39.7 | 8349 | 273.5 |
| B5 | –26.75 | 67.66 | 1.80 | 1652.09 | 9862.5 | 40.1 | 8083 | 317.4 |
| C1 | –109.99 | 64.20 | 1.60 | 1277.23 | 7941.5 | 22.2 | 5603 | 245.3 |
| C2 | –33.97 | 51.56 | 1.79 | 1460.89 | 9125.1 | 36.4 | 6968 | 291.4 |
| C3 | –63.30 | 78.00 | 1.66 | 2375.13 | 8511.9 | 27.4 | 6564 | 270.1 |
| C4 | –45.26 | 49.06 | 1.89 | 1410.98 | 8378.1 | 30.6 | 7515 | 269.8 |
| C5 | –72.13 | 52.62 | 1.72 | 1339.99 | 8623.5 | 30.2 | 6962 | 277.2 |
| D1 | –109.99 | 64.20 | 1.58 | 1070.69 | 7559.6 | 19.6 | 4693 | 227.5 |
| D2 | –33.98 | 51.56 | 1.82 | 1268.59 | 9038.9 | 35.5 | 6480 | 280.0 |
| D3 | –63.30 | 78.00 | 1.67 | 2134.11 | 8407.6 | 26.4 | 5899 | 258.7 |
| D4 | –45.26 | 49.06 | 1.90 | 1199.30 | 8296.4 | 29.7 | 6973 | 262.3 |
| D5 | –72.13 | 52.62 | 1.72 | 1205.14 | 8468.9 | 28.7 | 6484 | 268.1 |
| E1 | –54.26 | 82.34 | 1.69 | 1506.53 | 9106.1 | 31.7 | 6645 | 277.2 |
| E2 | 0 | 62.93 | 1.87 | 1948.07 | 10020.9 | 43.9 | 8280 | 303.7 |
| E3 | –27.89 | 89.53 | 1.75 | 2652.03 | 9408.3 | 35.8 | 7535 | 297.2 |
| E4 | –12.83 | 48.67 | 1.97 | 1930.05 | 8987.1 | 37.8 | 8734 | 278.6 |
| E5 | –26.75 | 67.66 | 1.82 | 1728.41 | 10005.4 | 44.8 | 8365 | 322.2 |
| F1 | –109.99 | 64.20 | 1.56 | 1185.66 | 7625.0 | 20.0 | 5196 | 237.7 |
| F2 | –33.97 | 51.56 | 1.79 | 1534.64 | 9163.2 | 36.7 | 7156 | 295.6 |
| F3 | –63.30 | 78.00 | 1.69 | 2350.51 | 8603.3 | 28.2 | 6506 | 269.0 |
| F4 | –45.26 | 49.06 | 1.88 | 1546.12 | 8413.7 | 30.8 | 7855 | 274.4 |
| F5 | –72.13 | 52.62 | 1.76 | 1413.02 | 8870.9 | 32.3 | 7246 | 281.9 |
| G1 | –167.26 | 45.56 | 1.48 | 882.91 | 6497.6 | 14.9 | 3875 | 197.1 |
| G2 | –68.53 | 40.00 | 1.76 | 1071.50 | 8080.3 | 27.3 | 5916 | 254.3 |
| G3 | –99.32 | 66.26 | 1.58 | 1943.58 | 7501.9 | 20.2 | 5333 | 238.6 |
| G4 | –78.21 | 38.04 | 1.84 | 1001.60 | 7896.3 | 25.4 | 6583 | 264.4 |
| G5 | –118.53 | 37.25 | 1.67 | 1014.21 | 7610.1 | 21.9 | 5791 | 242.8 |
| H1 | –167.26 | 45.56 | 1.42 | 993.36 | 6520.3 | 16.1 | 4373 | 207.9 |
| H2 | –68.53 | 40.00 | 1.75 | 1193.41 | 8126.7 | 27.6 | 6229 | 261.5 |
| H3 | –99.32 | 66.26 | 1.58 | 2116.68 | 7598.1 | 21.5 | 5801 | 247.1 |
| H4 | –78.21 | 38.04 | 1.84 | 1127.77 | 7978.5 | 26.1 | 6914 | 269.0 |
| H5 | –118.53 | 37.25 | 1.60 | 1088.60 | 7415.9 | 20.7 | 6026 | 248.5 |
| RDX | –21.61 | 37.84 | 1.81 | 80.00 | 8872.0 | 34.7 | 6320 | 267.8 |
| HMX | –21.61 | 37.84 | 1.90 | 104.80 | 9254.0 | 39.2 | 6190 | 265.6 |
OB, oxygen balance.
N, nitrogen content.
ρ, density.
ΔHf, enthalpy of formation.
VD, detonation velocity predicted by EXPLO 5 v6.05.
P, detonation pressure predicted by EXPLO 5 v6.05.
Q, detonation heat predicted by EXPLO 5 v6.05.
Isp, specific impulse predicted by EXPLO 5 v6.05.