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. 2021 Oct 12;60(21):16213–16222. doi: 10.1021/acs.inorgchem.1c02002

Table 3. Energetic Properties and Detonation Parameters of Compounds 1, 2, 4, and 5 and the Reference Compounds RDX, HAT-DN, and 5-ATN.

compound ρa (g/cm3) ρb (g/cm3) Td (°C)c IS (J)d FS (N)e ESD (J)f VoD (m/s)g PC–J (kbar)h Qex (kJ/kg)i
1 1.629 1.599 347 >40 >360 1 7681 194 –2378
2 1.837 1.803 230 4 >360 0.1 8948 311 –4496
4 1.908 1.873 270 4 192 0.1 7033 191 –1711
5 1.773 1.740 210 >25 >360 0.6 8092 246 –3289
RDXj 1.806   204 7.5 120 0.20 8861 345 –5845
HAT-DNk 1.856   117 2 20 0.75 9429 384 6186
5-ATNk   1.807 190 10 >324   8898 357 –4603
a

Cystallographic density at −100 °C.

b

Calculated density at 298 K, according to ref (22).

c

Decomposition temperature (onset) for the anhydrous sample in the TGA runs of Figure 10.

d

Impact sensitivity (BAM drop hammer).

e

Friction sensitivity (BAM friction tester).

f

Electrostatic discharge sensitivity.

g

Calculated detonation velocity.

h

Calculated detonation pressure.

i

Calculated heat of detonation.

j

Data taken from ref (6).

k

Data taken from ref (2).