. 2019 Nov 19;9(65):37747–37758. doi: 10.1039/c9ra07087g

Predicted densities (ρ), heats of detonation (Q), detonation velocities (D).

Compd	Q (cal g⁻¹)	D (km s⁻¹)	P (GPa)	ρ (g cm⁻³)	OB (%)	Compd	Q (cal g⁻¹)	D (km s⁻¹)	P (GPa)	ρ (g cm⁻³)	OB (%)
A1	1470.6	7.75	26.3	1.76	−65.7	D2	1483.0	8.55	33.0	1.85	−39.2
A2	1515.0	8.32	30.8	1.81	−46.6	D3	1709.2	8.76	37.2	2.11	−36.5
A3	1649.6	8.46	33.4	1.97	−44.6	D4	1090.5	7.67	25.9	1.78	−63.8
A4	1321.9	7.89	27.3	1.77	−60.9	D5	1428.1	9.05	38.0	1.94	−18.5
A5	1486.5	8.66	34.0	1.87	−33.0	D6	1249.7	7.95	27.6	1.75	−62.5
A6	1397.7	8.03	28.1	1.75	−60.3	D7	1593.9	9.26	40.0	1.96	−14.3
A7	1585.6	8.84	35.7	1.89	−28.0	D8	1730.9	9.77	46.0	2.08	5.0
A8	1684.6	9.44	41.8	1.99	−12.1	D9	1624.9	9.18	39.5	1.99	−17.8
A9	1608.9	8.89	36.5	1.93	−27.1	D10	1402.3	8.54	33.6	1.92	−38.1
A10	1439.7	8.40	32.1	1.88	−43.0	D11	1402.4	8.54	33.5	1.92	−38.1
A11	1444.0	8.39	31.9	1.87	−43.0	D12	1277.3	8.20	30.5	1.87	−45.7
A12	1376.6	8.16	29.9	1.83	−49.2	E1	1383.2	7.20	22.3	1.71	−85.4
B1	1478.0	7.57	25.0	1.75	−68.9	E2	1470.5	7.86	27.1	1.76	−64.8
B2	1561.2	8.59	33.1	1.84	−36.3	E3	1577.0	7.87	28.2	1.89	−62.0
B3	1769.2	8.75	37.1	2.10	−33.8	E4	1237.1	7.32	23.1	1.72	−81.6
B4	1189.8	7.78	26.7	1.78	−60.3	E5	1409.8	8.17	29.8	1.82	−49.8
B5	1493.1	9.10	38.3	1.94	−15.9	E6	1327.6	7.51	24.2	1.70	−79.6
B6	1350.1	8.05	28.1	1.74	−59.5	E7	1521.7	8.43	32.1	1.85	−42.1
B7	1643.1	9.28	40.1	1.96	−12.3	E8	1626.2	9.04	37.9	1.94	−24.2
B8	1767.7	9.77	45.9	2.08	6.7	E9	1562.7	8.57	33.5	1.89	−37.7
B9	1659.0	9.21	39.8	1.99	−16.4	E10	1387.8	8.07	29.3	1.84	−54.5
B10	1438.7	8.55	33.6	1.91	−36.6	E11	1393.9	8.05	29.1	1.83	−54.5
B11	1437.7	8.57	33.8	1.92	−36.6	E12	1297.3	7.79	27.0	1.81	−62.3
B12	1327.0	8.24	30.7	1.86	−44.0	F1	1401.2	7.08	21.5	1.70	−86.5
C1	1369.9	7.69	26.0	1.77	−69.2	F2	1505.1	8.17	29.5	1.79	−51.7
C2	1420.3	8.26	30.4	1.82	−50.0	F3	1703.3	8.25	32.4	2.04	−48.0
C3	1560.6	8.41	33.1	1.97	−47.8	F4	1099.2	7.23	22.6	1.73	−79.6
C4	1214.7	7.78	26.6	1.78	−64.6	F5	1430.7	8.69	34.5	1.90	−29.2
C5	1401.6	8.59	33.5	1.87	−36.2	F6	1259.6	7.57	24.5	1.70	−76.3
C6	1297.3	7.94	27.6	1.76	−63.8	F7	1600.3	9.00	37.4	1.93	−22.6
C7	1514.9	8.80	35.4	1.90	−30.6	F8	1726.3	9.75	45.4	2.05	−1.7
C8	1619.5	9.46	42.3	2.01	−14.5	F9	1627.4	8.98	37.6	1.96	−23.3
C9	1555.1	8.84	36.1	1.93	−29.2	F10	1405.3	8.30	31.4	1.88	−44.3
C10	1377.5	8.37	31.9	1.89	−45.2	F11	1402.9	8.32	31.6	1.89	−44.3
C11	1387.1	8.34	31.5	1.87	−45.2	F12	1277.1	7.97	28.5	1.84	−53.3
C12	1307.4	8.10	29.5	1.84	−51.6	RDX¹⁵	1590.7	8.75	34.0	1.82	−21.6
D1	1395.1	7.54	25.0	1.77	−72.1	HMX¹⁵	1633.9	9.10	39.0	1.91	−21.6