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. 2023 Aug 17;88(17):12481–12492. doi: 10.1021/acs.joc.3c01225

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
a

OB, oxygen balance.

b

N, nitrogen content.

c

ρ, density.

d

ΔHf, enthalpy of formation.

e

VD, detonation velocity predicted by EXPLO 5 v6.05.

f

P, detonation pressure predicted by EXPLO 5 v6.05.

g

Q, detonation heat predicted by EXPLO 5 v6.05.

h

Isp, specific impulse predicted by EXPLO 5 v6.05.