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. 2018 Mar 13;8(19):10215–10227. doi: 10.1039/c8ra00699g

Predicted oxygen balance (OB), detonation velocities (D) and detonation pressures (P) for the title compounds.

Comp. OBa (%) D b (m s−1) P c (GPa) Comp. OBa (%) D b (m s−1) P c (GPa)
A1 −32.35 8022.1 24.72 G1 9.12 8548.1 31.55
A2 −20.93 8080.1 28.03 G2 14.23 8237.0 29.26
A3 −14.28 8747.7 35.77 G3 15.28 8430.4 31.44
B1 −7.34 8726.7 33.40 H1 −8.66 8632.1 32.51
B2 0 8811.9 37.77 H2 2.56 8665.1 35.95
B3 2.97 8978.8 40.00 H3 6.33 8900.1 40.03
C1 9.12 8607.8 32.20 I1 −9.19 8645.2 31.66
C2 14.23 8511.6 31.97 I2 0 8820.1 38.09
C3 15.28 8267.2 29.65 I3 3.55 8968.1 40.53
D1 −8.66 8449.7 30.60 J1 10.96 8555.9 30.99
D2 2.56 8492.8 35.27 J2 16.87 8070.1 27.39
D3 6.33 8751.9 38.21 J3 17.77 8341.4 30.34
E1 −32.35 8106.9 27.08 K1 10.96 8577.8 31.35
E2 −20.93 8286.3 29.65 K2 16.87 8106.5 27.75
E3 −14.28 8789.8 36.36 K3 17.77 8360.2 30.67
F1 −7.34 8714.5 33.15 L1 5.75 8552.8 31.12
F2 0 8777.8 37.03 L2 15.28 8388.7 22.15
F3 2.97 8976.6 40.02 L3 16.84 8245.7 29.92
RDX −21.66 8748 34.9 HMX −21.66 9320 39.6
a

Oxygen balance (%) for CaHbFcNdOe:1600 × [e − 2a − (bc)/2]/Mw. Mw: molecular weight of the title compounds.

b

Calculated detonation velocities.

c

Calculated detonation pressures.