Table 1.
Energetic properties and detonation parameters for azole-based compounds, TNT and TATB.
| Comp. | N a | Ω b | IS c | Tdd | D e | HOF f | P g | D h |
|---|---|---|---|---|---|---|---|---|
| 1 | 49.12 | −42.11 | >40 | 218 | 1.727 | 216.9 | 28.9 | 8255 |
| 1n | 54.26 | −43.41 | >40 | 137 | 1.698 | 217.9 | 27.4 | 8194 |
| 1c | 54.26 | −43.41 | >40 | 246(241 j) | 1.819 | 201.8 | 31.5 | 8582 |
| 2 | 35.44 | −30.88 | >40 | 295 | 1.844 | 128.5 | 32.7 | 8388 |
| 2n | 40.46 | −32.37 | >40 | 112 | 1.810 | 144.4 | 31.7 | 8384 |
| 2c | 40.46 | −32.37 | >40 | 178(177 j) | 1.900 | 96.3 | 34.2 | 8573 |
| 2cn | 44.68 | −34.04 | >40 | 241 | 1.880 | 166.0 | 34.6 (35.0i) | 8712 (8732 i) |
| 3 | 60.87 | −7.00 | >1 | 130 | 1.899 | 281.0 | 39.2 (39.0i) | 9156 (9457i) |
| 3n | 64.61 | −12.30 | >1 | 140 | 1.791 | 376.4 | 36.7(36.8 i) | 9056 (9087 i) |
| TNT | 18.50 | −74.01 | 15 | 295 | 1.650 | −67.0 | 19.5 | 6881 |
| TATB | 32.55 | −55.81 | 50 | 360 | 1.930 | −154.2 | 31.2 | 8114 |
a Nitrogen content (%). b Oxygen balance (Ω = (xO − 2yC − 1/2zH) M/1,600) (%). c Impact sensitivity (BAM drop hammer) (J). d Decomposition temperature (from DSC, β = 5 °C·min−1) (°C). e Density from X-ray diffraction (g·cm−3). f Calculated enthalpy of formation (kJ·mol−1). g Detonation pressure (GPa). h Detonation velocity (m·s−1). i, j The values were reported in the previous literatures [34,36,40,42,54].