Kamlet-Jacobs equations

With the Kamlet-Jacobs equations , the detonation speed and the detonation pressure of many organic explosives can be roughly calculated, if the density (charge density), the elementary composition ( empirical formula ) and the enthalpy of formation are given. ${\displaystyle D}$ ${\displaystyle P_{CJ}}$

definition

The Kamlet-Jacobs equations are given by:

• ${\displaystyle {\tilde {D}}=A\cdot \left(1+B\cdot {\tilde {\rho }}\right)\cdot {\sqrt {\Phi }}}$
• ${\displaystyle {\tilde {P}}_{CJ}=K\cdot {\tilde {\rho }}^{2}\cdot \Phi }$

with the parameter

${\displaystyle \Phi ={\tilde {N}}\cdot {\sqrt {{\tilde {M}}\cdot {\tilde {Q}}}}}$

and the constants

${\displaystyle A=1{,}01\quad ;\quad B=1{,}30\quad ;\quad K=15{,}58}$

in which

• ${\displaystyle D={\tilde {D}}\cdot \mathrm {mm} /\mathrm {\mu s} \;\,\quad :\quad \mathrm {Detonationsgeschwindigkeit} }$
• ${\displaystyle P_{CJ}={\tilde {P}}_{CJ}\cdot \mathrm {kbar} \quad :\quad \mathrm {Detonationsdruck} }$
• ${\displaystyle \rho ={\tilde {\rho }}\cdot \mathrm {g} /\mathrm {cm^{3}} \;\;\qquad :\quad \mathrm {Ladedichte} }$
• ${\displaystyle N={\tilde {N}}\cdot \mathrm {mol} /\mathrm {g} \;\;\;\,\quad :\quad \mathrm {Molzahl\;der\;Schwaden\;pro\;Gramm\;Sprengstoff} }$
• ${\displaystyle M={\tilde {M}}\cdot \mathrm {g} /\mathrm {mol} \;\;\quad :\quad \mathrm {mittlere\;molare\;Masse\;der\;Schwaden} }$
• ${\displaystyle Q={\tilde {Q}}\cdot \mathrm {J} /\mathrm {g} \;\;\qquad :\quad \mathrm {Detonationsenthalpie\;des\;Sprengstoffs} }$

The dimensionless numerical values ​​( ) of the quantities in the specified units must be inserted into the equations. ${\displaystyle {\tilde {}}}$

For , and , ideal values ​​must be used, the calculation of which is based on the assumption that the oxygen first reacts with hydrogen to form H ₂ O and the remaining oxygen with carbon to form CO ₂ . In the case of explosives with a negative oxygen balance, it is assumed that elemental carbon is formed but not carbon monoxide (CO). The constants in the equations have been determined to give roughly the right values ​​for and , even though the conversions do not actually follow this ideal reaction scheme. ${\displaystyle N}$ ${\displaystyle M}$ ${\displaystyle Q}$ ${\displaystyle D}$ ${\displaystyle P_{CJ}}$

meaning

The Kamlet-Jacobs equations represent empirical relationships that have been matched with the constants , and to experimental data on CHNO explosives at loading densities greater than , and which in these cases achieve an accuracy of 2% on average. (CHNO explosives consist only of the elements carbon , hydrogen , nitrogen and oxygen ). ${\displaystyle A}$ ${\displaystyle B}$ ${\displaystyle K}$ ${\displaystyle 1{,}0\;\mathrm {g\!/\!cm^{3}} }$

The remarkable statement of the Kamlet-Jacobs equations is that the detonation pressure, as a measure of the explosive's explosiveness, varies directly with the square of the charge density and the square root of the heat of the explosion (detonation enthalpy) - with constant composition. Therefore, when looking for new, stronger explosives, particular importance is attached to the highest possible density.

For hazard assessment

Sometimes in the chemical laboratory, e.g. B. in drug production, reaction mixtures are used that are potentially explosive. With the Kamlet-Jacobs equations, the explosiveness of such reaction mixtures can be estimated and possibly reduced to an acceptable level by adding inert diluents.

application

Calculation of N , M and Q from the sum formula and the enthalpy of formation

The idealized implementation formula for an explosive with the elementary composition (sum formula) is: ${\displaystyle \mathrm {C_{x}H_{y}N_{z}O_{v}} }$

${\displaystyle \mathrm {C_{x}H_{y}N_{z}O_{v}} \quad \longrightarrow \quad a\cdot \mathrm {H_{2}O} +b\cdot \mathrm {CO_{2}} +c\cdot \mathrm {C} +d\cdot \mathrm {O_{2}} +(\mathrm {z} /2)\cdot \mathrm {N_{2}} }$

The coefficients result formally from:

${\displaystyle a=\min(\mathrm {y/2,v} )\quad ;\quad b=\min(\mathrm {x} ,(\mathrm {v} -a)/2)\quad ;\quad d=(\mathrm {v} -a-2b)/2}$

The relative molar mass of is: ${\displaystyle \mathrm {C_{x}H_{y}N_{z}O_{v}} }$

${\displaystyle M_{\rm {r}}=\mathrm {x} \cdot 12{,}01+\mathrm {y} \cdot 1{,}01+\mathrm {z} \cdot 14{,}01+\mathrm {v} \cdot 16{,}00}$

The number of moles of (ideal) plumes per mass of explosive follows from:

${\displaystyle N={\frac {a+b+d+\mathrm {z} /2}{M_{\rm {r}}}}\cdot {\frac {\mathrm {mol} }{\mathrm {g} }}}$

${\displaystyle {\tilde {N}}={\begin{cases}(\mathrm {v+z/2} )/M_{\rm {r}}\qquad \qquad {\mbox{wenn}}\qquad 2\mathrm {v\leq y} \\(\mathrm {2v+y+2z} )/4M_{\rm {r}}\qquad \qquad \qquad {\mbox{sonst}}\end{cases}}}$

The mean molar mass of the (ideal) plumes is given by:

${\displaystyle {\tilde {M}}={\frac {a\cdot 18{,}02+b\cdot 44{,}01+d\cdot 32{,}00+\mathrm {z} \cdot 14{,}01}{M_{\rm {r}}\cdot {\tilde {N}}}}}$

The enthalpy of formation of the (ideal) detonation products per mass of the explosive is:

${\displaystyle Q_{2}={\frac {a\cdot \Delta H_{\rm {f}}(\mathrm {H_{2}O,gas} )+b\cdot \Delta H_{\rm {f}}(\mathrm {CO_{2}} )}{M_{\rm {r}}}}\cdot {\frac {\mathrm {mol} }{\mathrm {g} }}}$

with the enthalpies of formation of water vapor and carbon dioxide

${\displaystyle \Delta H_{\rm {f}}(\mathrm {H_{2}O,gas} )=-241{,}8\;\mathrm {kJ/mol} =-57{,}8\;\mathrm {kcal/mol} }$

${\displaystyle \Delta H_{\rm {f}}(\mathrm {CO_{2}} )=-393{,}5\;\mathrm {kJ/mol} =-94{,}0\;\mathrm {kcal/mol} }$

so

${\displaystyle Q_{2}=-{\frac {(a\cdot 57{,}8+b\cdot 94{,}0)\cdot 1000}{M_{\rm {r}}}}\cdot {\frac {\mathrm {cal} }{\mathrm {g} }}}$

If the enthalpy of formation ( ) denotes the explosive per mole of the formula unit , the numerical value of the enthalpy of formation results from: ${\displaystyle \Delta H_{\rm {f}}}$ ${\displaystyle \mathrm {J} /\mathrm {mol} }$ ${\displaystyle \mathrm {C_{x}H_{y}N_{z}O_{v}} }$ ${\displaystyle \mathrm {cal} /\mathrm {g} }$

${\displaystyle {\tilde {Q}}_{1}={\frac {1}{4{,}1868}}\cdot {\frac {\mathrm {mol} }{\mathrm {J} }}\cdot {\frac {\Delta H_{\rm {f}}}{M_{\rm {r}}}}}$

For the numerical value of the heat of explosion (specific detonation enthalpy) in follows because : ${\displaystyle \mathrm {cal} /\mathrm {g} }$ ${\displaystyle {\tilde {Q}}={\tilde {Q}}_{1}-{\tilde {Q}}_{2}}$

${\displaystyle {\tilde {Q}}={\tilde {Q}}_{1}+{\frac {a\cdot 57800+b\cdot 94000}{M_{\rm {r}}}}}$

This means that all the numerical values ​​that are required to calculate the "chemistry-dependent" parameter are determined from the sum formula and the enthalpy of formation of the explosive. ${\displaystyle \Phi }$

Mixtures of substances

Explosives are mostly mixtures of different chemical constituents (components). A mixture of substances is defined by its components and their proportions by mass. Let the mass fraction, the empirical formula, the relative molar mass (numerical value with regard to ) and (J / mol) be the enthalpy of formation of the -th component. The specific (ie mass-related) enthalpy of formation results from an ideal mixture of substances, i.e. if no enthalpy change occurs during mixture formation, from a sum of all components: ${\displaystyle w_{i}}$ ${\displaystyle C_{\mathrm {x} [i]}H_{\mathrm {y} [i]}N_{\mathrm {z} [i]}O_{\mathrm {v} [i]}}$ ${\displaystyle M_{\rm {r}}[i]}$ ${\displaystyle \mathrm {g/mol} }$ ${\displaystyle \Delta H_{\rm {f}}[i]}$ ${\displaystyle i}$

${\displaystyle {\tilde {Q}}_{1}={\frac {1}{4{,}1868}}\cdot {\frac {\mathrm {mol} }{\mathrm {J} }}\cdot \sum _{i}{w_{i}\cdot {\frac {\Delta H_{\rm {f}}[i]}{M_{\rm {r}}[i]}}}}$

This also applies in particular to heterogeneous mixtures of substances.

The mean molar mass of the mixture of substances is given by:

${\displaystyle M_{\rm {r}}=\left(\sum _{i}w_{i}/M_{\rm {r}}[i]\right)^{-1}}$

The number of moles of the various elements per number of moles of the average formula unit (correspondingly ) result from: ${\displaystyle M_{\rm {r}}}$

${\displaystyle \mathrm {x} =M_{\rm {r}}\cdot \sum _{i}w_{i}\cdot {\mathrm {x} [i]/M_{\rm {r}}[i]}}$

${\displaystyle \mathrm {y} =M_{\rm {r}}\cdot \sum _{i}w_{i}\cdot {\mathrm {y} [i]/M_{\rm {r}}[i]}}$

${\displaystyle \mathrm {z} =M_{\rm {r}}\cdot \sum _{i}w_{i}\cdot {\mathrm {z} [i]/M_{\rm {r}}[i]}}$

${\displaystyle \mathrm {v} =M_{\rm {r}}\cdot \sum _{i}w_{i}\cdot {\mathrm {v} [i]/M_{\rm {r}}[i]}}$

From these , which are not integral with mixtures generally can , and be as calculated in a pure substance. The theoretical maximum density of the (ideal) mixture of substances results from the maximum densities (e.g. crystal densities) of the individual components: ${\displaystyle {\rm {x,y,z,v}}}$ ${\displaystyle N}$ ${\displaystyle M}$ ${\displaystyle {\tilde {Q}}_{2}}$ ${\displaystyle \rho _{m}}$ ${\displaystyle \rho _{m}[i]}$

${\displaystyle \rho _{m}=\left(\sum _{i}w_{i}/\rho _{m}[i]\right)^{-1}}$

Remarks

In the case of a negative oxygen balance, the resulting end products of the conversion depend on the loading density and the type of containment of the explosives. The idealized implementation formula describes the actual implementation better, the higher the detonation pressure. The higher the pressure during the reaction, the greater the chemical equilibrium

${\displaystyle \mathrm {CO_{2}} +\mathrm {C} \;{\overrightarrow {\leftarrow }}\;2\,\mathrm {CO} \qquad \qquad ;\qquad \qquad 2\,\mathrm {H_{2}O} +\mathrm {C} \;{\overrightarrow {\leftarrow }}\;\mathrm {CO_{2}} +2\,\mathrm {H_{2}} }$

on the left, as the number of moles of gaseous products (normal volume) is then smaller (see Le Chatelier's principle ). However, a high temperature works in the opposite direction, so that carbon monoxide (CO) is always formed, especially with explosives with a negative oxygen balance. This explains the observation that z. B. in the detonation of PETN , an explosive with a somewhat negative oxygen balance ( %), only gaseous detonation products are formed with a low charge density, whereas free carbon occurs with a high charge density, i.e. high detonation pressure. The carbon is first condensed as diamond ( nanoparticles ) and more or less turns into graphite (soot) as the vapor relaxes . The plumes of explosives with a strongly negative oxygen balance (e.g. TNT ) consist of H ₂ O, CO ₂ and N ₂ as well as poisonous CO, H ₂ and soot, which burn in long-lasting balls of flame when mixed with the ambient air. ${\displaystyle \mathrm {OB} =-10{,}1}$

Other methods of calculating the speed of detonation

In the late 1940s, Urizar specified a simple formula with which the detonation speed of certain explosive mixtures can be estimated from the detonation speeds of the individual components and their proportions by volume:

${\displaystyle D=\sum _{i}\nu _{i}\cdot D_{i}=\rho \cdot \sum _{i}{\frac {y_{i}}{\rho _{i}}}\cdot D_{i}}$

in which

• ${\displaystyle \nu _{i}}$ : Volume fraction of the -th component in the mixture ${\displaystyle i}$
• ${\displaystyle D_{i}}$ : Detonation speed of the -th component at maximum density ${\displaystyle i}$
• ${\displaystyle \rho }$ : Density of the explosives mixture including interparticle cavities (pores).
• ${\displaystyle \rho _{i}}$ : maximum density (crystal density) of the -th component ${\displaystyle i}$
• ${\displaystyle y_{i}}$ : Mass fraction of the -th component ${\displaystyle i}$

Reactions between the components are not taken into account with this formula. It is not applicable to mixtures of explosives, the energy of which mainly results from reactions of the constituents with one another, e.g. B. acetonitrile + nitric acid, the components of which are not detonable on their own.

For mixtures of a reactive component and an inert binder (e.g. HMX + Kel F-800), the Urizar formula gives realistic values.

literature

• MJKamlet, SJJacobs: Chemistry of Detonations I. A simple Method for Calculating Detonation Properties of CHNO Explosives , The Journal of Chemical Physics 48 , 23-35 (1968)

Web links

• Horst H. Krause: New Energetic Materials (PDF file; 6.72 MB) ISBN 3-527-30240-9 .
• HEAT OF DETONATION (PDF file; 881 kB)
• Multidisciplinary Research Program of the University Research Initiative (MURI): ENERGETIC MATERIALS DESIGN FOR IMPROVED PERFORMANCE / LOW LIFE CYCLE COST ( Memento from September 4, 2006 in the Internet Archive ) (PDF file; 700 kB)

Material values

Chemical compound	acronym	CAS no.	Molecular formula	M.	IF	density	Δ H f 0	Δ H f 0	M.p.	Ref.
				(g / mol)	(%)	(g / cm 3 )	(kJ / mol)	calc.	(° C)
Dinitrobenzene	DNB	99-65-0	C 6 H 4 N 2 O 4	168.11	−95.2	1.58	−26	−3	90	(a)
Dinitrotoluene	DNT	121-14-2	C 7 H 6 N 2 O 4	182.13	−114.2	1.52	−68	−34	70	(a)
Dinitroethylbenzene		1204-29-1	C 8 H 8 N 2 O 4	196.16	−130.5			−48		(x)
Trinitrobenzene	TNB	99-35-4	C 6 H 3 N 3 O 6	213.10	−56.3	1.76	−36	−23	123	(a)
Trinitrotoluene	TNT	118-96-7	C 7 H 5 N 3 O 6	227.13	−74.0	1.65	−63	−34	81	(a)
Trinitroethylbenzene	TNEB	13985-60-9	C 8 H 7 N 3 O 6	241.16	−89.6	1.62	−91	−46	-	(a)
Picric acid	PA	88-89-1	C 6 H 3 N 3 O 7	229.10	−45.4	1.77	−215	−209	-	(a)
Ethyl picrate		4732-14-3	C 8 H 7 N 3 O 7	257.16	−77.8	1.55	−201		-	(a)
2,4-dinitroresorcinol		519-44-8	C 6 H 4 N 2 O 4	200.11	−64.0	1.82	-		-	(x)
Styphnic acid	TNR	82-71-3	C 6 H 3 N 3 O 8	245.10	−35.9	1.83	−435	-	176	(a)
Picric acid		96-91-3	C 6 H 5 N 3 O 5	199.12	−76.3			−195	169	(x)
Trinitroaniline	TNA	489-98-5	C 6 H 4 N 4 O 6	228.12	−56.1	1.76	−74	−43	190	(a)
Diaminotrinitrobenzene	DATB	1630-08-6	C 6 H 5 N 5 O 6	243.13	−55.9	1.84	−122	−65	290	(a)
Triaminotrinitrobenzene	TATB	3058-38-6	C 6 H 6 N 6 O 6	258.15	−55.8	1.94	−154	−89	~ 340	(a)
Hexanitrobenzene	HNB	13232-74-1	C 6 N 6 O 12	348.10	0.0	2.02	66	-	-	(a)
Tetranitronaphthalene	TNN	4793-98-0	C 10 H 4 N 4 O 8	308.16	−72.7		51	-	> 400	(b)
Hexanitrostilbene	HNS	20062-22-0	C 14 H 6 N 6 O 12	450.23	−67.5	1.74	78	-	~ 318	(a)
1,3,6,8-tetranitrocarbazole	TNC	28453-24-9	C 12 H 5 N 5 O 8	347.20	−85.3			-	296	(x)
Hexanitrodiphenylamine ; Hexyl	HNDP	131-73-7	C 12 H 5 N 7 O 12	439.21	−52.8	1.64	40	97	243	(a)
Hexanitrobiphenyl ; Bipicryl	HNBP	4433-16-3	C 12 H 4 N 6 O 12	424.19	−52.8		61	-	241	(a)
Diaminohexanitrobiphenyl ; Dipicramide	DIPAM	17215-44-0	C 12 H 6 N 8 O 12	454.22	−52.8	1.82	−84	-	303	(b)
Hexanitrodiphenyl sulfone	HNDS	10580-80-0	C 12 H 4 N 6 O 14 S	488.26	−45.9	1.84		-	~ 345	(x)
Hexanitroazobenzene	HNAB	19159-68-3	C 12 H 4 N 8 O 12	452.21	−49.5	1.80	284	-	221	(a)
Azobishexanitrobiphenyl	DEP	23987-32-8	C 24 H 6 N 14 O 24	874.38	−49.4	1.64	486	-	> 485	(a)
Picrylazodinitropyridine	PADP	55106-96-2	C 17 H 5 N 13 O 16	647.30	−50.7		618	-		(b)
Picrylaminodinitropyridine	PYX	38082-89-2	C 17 H 7 N 11 O 16	621.30	−55.4	1.77	80	163	~ 360	(a)
Octanitroterphenyl	ONT	33491-88-2	C 18 H 6 N 8 O 16	590.28	−62.3		82	-	> 400	(b)
Nonanitroterphenyl	NONA	51460-84-5	C 18 H 5 N 9 O 18	635.28	−51.6	1.70	115	-	~ 396	(a)
Dodecanitroquaterphenyl	DODECA	23242-92-4	C 24 H 6 N 12 O 24	846.37	−51.0		212	-	> 400	(b)
Tripicrylbenzene	TPB	58505-78-5	C 24 H 9 N 9 O 18	711.38	−77.6		−260	-	~ 386	(x)
Tripicryl melamine	TPM	10201-29-3	C 21 H 9 N 15 O 18	759.39	−60.0	1.75		-	-	(x)
Picryl dinitrobenzotriazole	BTX	50892-90-5	C 12 H 4 N 8 O 10	420.21	−60.9	1.74	297	-	263	(b)
Picrylaminotriazole	PATO	18212-12-9	C 8 H 5 N 7 O 6	295.17	−67.8	1.94	636	-	~ 310	(b)
2,4-dinitroimidazole	DNI	5213-49-0	C 3 H 2 N 4 O 4	158.07	−30.4	1.45	21st	39	~ 270	(a)
Diaminoazoxyfurazan	DAAF	78644-89-0	C 4 H 4 N 8 O 3	212.13	−52.8	1.75	444	-	-	(x)
1,2,5-oxadiazole-3,3'-azobis [4-nitro-2,2'-dioxide]		218131-63-6	C 4 N 8 O 8	288.09	0.0	2.00		665		(x)
Nitromethane	NM	75-52-5	CH 3 NO 2	61.04	−39.3	1.13	−113	-	-	(a)
Nitroform		517-25-9	CHN 3 O 6	151.04	37.1	1.59	−39	-	22nd	(c)
Tetranitromethane	TNM	509-14-8	CN 4 O 8	196.03	49.0	1.65	54	-	13	(a)
Nitroethane		79-24-3	C 2 H 5 NO 2	75.07	−95.9	1.06	−139	-		(c)
Hexanitroethane	HNE	918-37-6	C 2 N 6 O 12	300.05	42.7	1.85	120	-	~ 150	(x)
Dimethyl dinitrobutane	DMNB	3964-18-9	C 6 H 12 N 2 O 4	176.17	−127.1			-	211	(x)
Bis (2,2-dinitropropyl) formal	BDNPF	5917-61-3	C 7 H 12 N 4 O 10	312.19	−51.2	1.41	−597	−501	31	(a)
Bis (2,2-dinitropropyl) acetal	BDNPA	5108-69-0	C 8 H 14 N 4 O 10	326.22	−63.8	1.37	−633	−524	34	(a)
Trinitroethyl trinitrobutyrate	TNETB	17543-76-9	C 6 H 6 N 6 O 14	386.14	−4.1	1.77		-	94	(x)
Bistrinitroethylurea	BTNEW	41407-46-9	C 5 H 6 N 8 O 13	386.15	0.0	1.86	−304	-	191	(x)
Trinitroethyl orthocarbonate	TNEOC	14548-58-4	C 9 H 8 N 12 O 28	732.22	13.1	1.84	−1181	-	-	(a)
Dinitropropyl acrylate	DNPA	17977-09-2	C 6 H 8 N 2 O 6	204.14	−78.4	1.47	−461	-	-	(a)
Diaminodinitroethylene; FOX-7	DADE	145250-81-3	C 2 H 4 N 4 O 4	148.08	−21.6	1.89	−134	-	> 215	(x)
Heptanitrocubane	HpNC	99393-62-1	C 8 HN 7 O 14	419.13	−9.5	2.02	-	480	> 200	(x)
Octanitrocubane	ONC	99393-63-2	C 8 N 8 O 16	464.13	0.0	1.98	465	552	> 200	(x)
Bis (2-fluoro-2,2-dinitroethyl) formal	FEFO	17003-79-1	C 5 H 6 F 2 N 4 O 10	320.12	−10.0	1.61	−743		-	(a)
3,3,7,7-tetra-bis (difluoroamine) octahydro-1,5-dinitrodiacozin	HNFX	170787-71-0	C 6 H 8 N 8 F 8 O 4	408.17	−31.4	1.81	-		-	(x)
Methyl nitrate		598-58-3	CH 3 NO 3	77.04	−10.4	1.21	−156	−150	−83	(x)
Ethyl nitrate		625-58-1	C 2 H 5 NO 3	91.07	−61.5	1.11	−190	−170	−112	(x)
Nitroglycol	EGDN	628-96-6	C 2 H 4 N 2 O 6	152.06	0.0	1.48	−244	−246	−23	(a)
Glycerol 1,2-dinitrate		621-65-8	C 3 H 6 N 2 O 7	182.09	−17.6			−441	-	(x)
Glycerol 1,3-dinitrate		623-87-0	C 3 H 6 N 2 O 7	182.09	−17.6	1.52		−457	26th	(x)
Nitroglycerin	NG	55-63-0	C 3 H 5 N 3 O 9	227.09	3.5	1.59	−371	−370	13	(a)
Diglycerol tetranitrate ; Tetranitrodiglycerin	DGTN	20600-96-8	C 6 H 10 N 4 O 13	346.16	−18.5	1.52		−636	-	(x)
Pentaerythritol trinitrate	PETRIN	1607-17-6	C 5 H 9 N 3 O 10	271.14	−26.6	1.54	−561	−562	-	(a)
Nitropenta	PETN	78-11-5	C 5 H 8 N 4 O 12	316.14	−10.1	1.77	−525	−483	141	(a)
Dipentaerythritol hexanitrate	DPHN	13184-80-0	C 10 H 16 N 6 O 19	524.26	−27.5	1.63	−979	−887	-	(a)
Nitromannite	MN	130-39-2	C 6 H 8 N 6 O 18	452.16	7.1	1.60		−661	~ 108	(x)
Propylene glycol dinitrate	PGDN	6423-43-4	C 3 H 6 N 2 O 6	166.09	−28.9	1.37		−274	<−20	(x)
Diethylene glycol dinitrate	DEGN	693-21-0	C 4 H 8 N 2 O 7	196.12	−40.8	1.39	−416	−419	2	(a)
Metriol trinitrate ; Nitrometriol	TMETN	3032-55-1	C 5 H 9 N 3 O 9	255.14	−34.5	1.46	−433	−399	−3 (-17)	(a)
Butanetriol trinitrate	BTTN	6659-60-5	C 4 H 7 N 3 O 9	241.11	−16.6	1.52	−390	−390	−27	(b)
Triethylene glycol dinitrate	TEGDN	111-22-8	C 6 H 12 N 2 O 8	240.17	−66.6	1.33	−609	−573	-	(a)
2,2-dinitro-1,3-bis-nitrooxypropane	NPN	194478-69-8	C 3 H 4 N 4 O 10	256.08	12.5			−263	−82 (Tg)	(x)
Dinitrocyclohexanetetrol dinitrate	LLM-101	177789-20-7	C 6 H 8 N 4 O 12	328.15	−19.5	1.87		−692	> 243	(x)
Diethyl nitramine dinitrate	DINA	4185-47-1	C 4 H 8 N 4 O 8	240.13	−26.7	1.66	−316	-	51	(a)
Methylnitratoethylnitramine	Menena	17096-47-8	C 3 H 7 N 3 O 5	165.10	−43.6	1.53		−111	39	(x)
Ethylnitratoethylnitramine	EtNENA	85068-73-1	C 4 H 9 N 3 O 5	179.13	−67.0	1.32		−144	4th	(x)
Butylnitratoethylnitramine	BuNENA	82486-82-6	C 6 H 13 N 3 O 5	207.18	−104.3	1.21		−189	−27	(x)
Hexogen	RDX	121-82-4	C 3 H 6 N 6 O 6	222.12	−21.6	1.81	62	-	~ 204	(a)
Octogen	HMX	2691-41-0	C 4 H 8 N 8 O 8	296.16	−21.6	1.90	75	-	~ 282	(a)
Keto RDX	K-6	115029-35-1	C 3 H 4 N 6 O 7	236.10	−6.8	1.93	−42	-	> 205	(a)
Tetranitrohemiglycoluril ; K-55	TNHG	130256-72-3	C 4 H 4 N 8 O 9	308.12	−5.2	1.91		-	-	(x)
Bicyclo-HMX		152678-68-7	C 4 H 6 N 8 O 8	294.14	−16.3	1.87	105	-	-	(a)
Tetranitrotetraazadecalin	TNAD	135877-16-6	C 6 H 10 N 8 O 8	322.19	−44.7	1.80	73	226	-	(c)
Hexanitrohexaazatricyclododecanedione	HHTDD	115029-33-9	C 6 H 4 N 12 O 14	468.17	0.0	2.07		-	> 210	(x)
Hexanitrohexaazaisowurtzitane ; CL-20	HNIW	135285-90-4	C 6 H 6 N 12 O 12	438.19	−11.0	2.04	372	403	> 195	(a)
Tetraoxadinitraminoisowurtzitan	TEX	130919-56-1	C 6 H 6 N 4 O 8	262.13	−42.7	1.99	−314	−528	~ 250	(x)
Dinitropentamethylenetetramine	DPT	949-56-4	C 5 H 10 N 6 O 4	218.17	−80.7	1.68	-		-	(x)
Tetranitrohexahydropyrimidine	DNNC	81360-42-1	C 4 H 6 N 6 O 8	266.13	−18.0	1.82	−49		157	(c)
Ethylenedinitramine	EDNA	505-71-5	C 2 H 6 N 4 O 4	150.09	−32.0	1.71	−103	-	~ 175	(a)
Nitroguanidine	NQ	556-88-7	CH 4 N 4 O 2	104.07	−30.7	1.78	−93	-	240	(a)
Methylenedinitramine	MEDINA		CH 4 N 4 O 4	136.07	0.0	1.74	−58	-	98	(a)
Bis (2,2-dinitropropyl) nitramine	BDNPN	28464-24-6	C 6 H 10 N 6 O 10	326.18	−34.3	1.73		−47	-	(x)
Bistrinitroethylnitramine ; BTNEN	HOX	19836-28-3	C 4 H 4 N 8 O 14	388.12	16.5	1.96	63	92	-	(c)
Tetranitromethylaniline	Tetryl	479-45-8	C 7 H 5 N 5 O 8	287.14	−47.4	1.73	20th	-	129	(b)
2,4,6-trinitrophenyl-N-nitraminoethyl nitrate	Pentryl	4481-55-4	C 8 H 6 N 6 O 11	362.17	−35.3		-		-	(x)
Trinitroazetidine	TNAZ	97645-24-4	C 3 H 4 N 4 O 6	192.09	−16.7	1.84	12	46	101	(a)
Hexanitrodiazacyclooctane	HCO	88371-89-5	C 6 H 8 N 8 O 12	384.17	−16.7	1.86		102		(x)
Dinitroglycoluril ; DINGU	DNGU	55510-04-8	C 4 H 4 N 6 O 6	232.11	−27.6	1.98	−177	-	-	(b)
Tetranitroglycoluril ; SORGUYL	TNGU	55510-03-7	C 4 H 2 N 8 O 10	322.11	5.0	2.04	50	−50	> 230	(a)
Cyclotrimethylene trinitrosamine ; R salt	TRDX	13980-04-6	C 3 H 6 N 6 O 3	174.12	−55.1	1.60		-	107	(x)
Diaminotetrazine dioxide	TZX	153757-93-8	C 2 H 4 N 6 O 2	144.09	−44.4			302		(x)
Trinitroethylaminotetrazine	TNEAT	137592-18-8	C 6 H 6 N 12 O 12	438.19	−11.0	1.83	-	358	-	(x)
3,3'-azo-bis (6-amino-1,2,4,5-tetrazine)	DAAT	303749-95-3	C 4 H 4 N 12	220.16	−72.7	1.84	862	863	252	(x)
Tetranitrotetraazapentalen	TACOT	25243-36-1	C 12 H 4 N 8 O 8	388.21	−74.2	1.85	463	-	~ 378	(a)
Diaminodinitrobenzofuroxan	CL-14	117907-74-1	C 6 H 4 N 6 O 6	256.13	−50.0	1.94	86	-	-	(a)
Nitrotriazolone ; ONTA	NTO	932-64-9	C 2 H 2 N 4 O 3	130.06	−24.6	1.93	−60	−45	> 250	(x)
Aminodinitrobenzofuroxan	ADNBF	97096-78-1	C 6 H 3 N 5 O 6	241.12	−49.8	1.90	154	-	-	(a)
5-amino-3-nitro-1H-1,2,4-triazole	ANTA	58794-77-7	C 2 H 3 N 5 O 2	129.08	−43.4	1.82	60	-	~ 238	(a)
2,6-diamino-3,5-dinitropyrazine-1-oxide ; PZO	DDPO	194486-77-6	C 4 H 4 N 6 O 5	216.11	−37.0	1.91	−13.0	-	-	(a)
Dinitrobistriazole	DNBT	70890-46-9	C 4 H 2 N 8 O 4	226.11	−35.4	1.80	394	-	-	(a)
Triazidotrinitrobenzene	TATNB	29306-57-8	C 6 N 12 O 6	336.14	−28.6	1.74	1130	-	130	(a)
Benzotrifuroxane	BTF	3470-17-5	C 6 N 6 O 6	252.10	−38.1	1.90	605	-	195	(a)
Tetrazidoquinone	TAZQ	22826-61-5	C 6 N 12 O 2	272.14	−58.8			1077		(x)
Diazidonitrazapropane	DANP	67362-62-3	C 2 H 4 N 8 O 2	172.11	−37.2			-		(x)
Diazidonitrazapentane	DANPE	89130-65-4	C 4 H 8 N 8 O 2	200.16	−79.9			-		(x)
1,7-diazido-2,4,6-trinitrazaheptane	DATH	62209-57-8	C 4 H 8 N 12 O 6	320.18	−30.0	1.72	620	-	133	(x)
Ethylene glycol bisazidoacetate	EGBAA	211860-86-5	C 6 H 8 N 6 O 4	228.17	−84.1	1.34	−167	-	−71 (Tg)	(a)
Pentaerythritol diazidodinitrate	PDADN	96915-38-7	C 5 H 8 N 8 O 6	276.17	−46.3			362		(x)
Cyanuric triazide	CTA	5637-83-2	C 3 N 12	204.11	−47.0	1.71		1050	94	(x)
Diethyl aluminum azide	DEAA	6591-35-1	C 4 H 10 AlN 3	127.12	−182.5		-			(x)
Guanylnitrosaminoguanyl tetrazene	Tetrazene	31330-63-9	C 2 H 8 N 10 O	188.15	−59.5	1.70	189	-	> 160	(a)
Aminotetrazole	5-AT	4418-61-5	CH 3 N 5	85.07	−65.8	1.65	208	285		(c)
Cyanotetrazole		74418-40-9	C 2 HN 5	95.06	-75.7		402	461	81	(c)
Azodicarbonamide	ADCA	123-77-3	C 2 H 4 N 4 O 2	116.08	−55.1		−293	−205		(c)
Carbohydrazide	CDH	497-18-7	CH 6 N 4 O	90.08	−71.0			−22	~ 152	(x)
Diazodinitrophenol	DDNP	4682-03-5	C 6 H 2 N 4 O 5	210.10	−60.9	1.63	8th	-	157	(x)
Ammonium azide		12164-94-2	H 4 N 4	60.06	−53.3	1.35	85		> 134	(x)
Ammonium picrate	Expl.D	131-74-8	C 6 H 6 N 4 O 7	246.14	−52.0	1.72	0	-	~ 265	(a)
Ammonium nitrate	ON	6484-52-2	H 4 N 2 O 3	80.04	20.0	1.72	−365	−310	169	(a)
Methylammonium nitrate	MMAN	22113-87-7	CH 6 N 2 O 3	94.07	−34.0	1.42		−280	111	(x)
Tetramethylammonium nitrate	QMAN	1941-24-8	C 4 H 12 N 2 O 3	136.15	−129.3	1.25	−356	−181	> 300	(c)
Triethanolammonium nitrate	TEAN	27096-29-3	C 6 H 16 N 2 O 6	212.20	−105.6			−810		(x)
Guanidinium nitrate	GN	506-93-4	CH 6 N 4 O 3	122.08	−26.2		-		-	(x)
Guanidinium aminotetrazolate	GA	51714-45-5	C 2 H 8 N 8	144.14	−88.8		-		-	(x)
Guanidinium 5,5'-azotetrazolate	GZT	142353-07-9	C 4 H 12 N 16	284.25	−78.8		-		-	(x)
Ammonium dinitramide ; SR12	ADN	140456-78-6	H 4 N 4 O 4	124.06	25.8	1.82	−148	−121	92	(a)
Guanylurea dinitramide	GUDN	217464-38-5	C 2 H 7 N 7 O 5	209.12	−19.1			−222	> 205	(x)
Triaminoguanidinium azide	TAZ	15067-49-9	CH 9 N 9	147.14	−70.7	1.44	442	-		(c)
Ethylene diamine dinitrate	EDDN	20829-66-7	C 2 H 10 N 4 O 6	186.12	−25.8	1.58	−652	-	186	(a)
Hydrazine nitrate	HN	37836-27-4	H 5 N 3 O 3	95.06	8.4	1.69	−247	-	-	(a)
Hydroxylammonium nitrate	HAN	13465-08-2	H 4 N 2 O 4	96.04	33.3	1.88	−339	-	48	(c)
Urea nitrate	U.N.	124-47-0	CH 5 N 3 O 4	123.07	−6.5	1.68	−547	-	-	(x)
Urea perchlorate		18727-07-6	CH 5 ClN 2 O 5	160.51	10.0			-		(x)
Ammonium perchlorate	AP	7790-98-9	H 4 NO 4 Cl	117.49	34.0	1.95	−296	-	-	(a)
Triaminoguanidinium nitrate	TAGN	4000-16-2	CH 9 N 7 O 3	167.13	−33.5	1.57	−54	-	216	(c)
Hydrazinium nitroformate	HNF	14913-74-7	CH 5 N 5 O 6	183.08	13.1	1.89	−72	−107	~ 124	(x)
Nitrogen tetroxide (fl.)	MON	10544-72-6	N 2 O 4	92.01	69.6	1.45	−19	−18	−11	(x)
nitric acid	FNA	7697-37-2	ENT 3	63.01	63.5	1.51	−174	−177	-	(x)
Hydrogen peroxide		7722-84-1	H 2 O 2	34.01	47.0	1.44	−188	−183	-	(x)
Acetone peroxide	TATP	17088-37-8	C 9 H 18 O 6	222.24	−151.2	1.22		−506	97	(x)
Diacetone peroxide	DADP	1073-91-2	C 6 H 12 O 4	148.16	−151.2	1.29		−337	132	(x)
Hexamethylene triperoxide diamine	HMTD	283-66-9	C 6 H 12 N 2 O 6	208.17	−92.2	1.57	−360	−316	~ 145	(x)
Lead azide		13424-46-9	N 6 Pb	291.24	−5.5	4.87	500	-	> 250	(x)
Lead typhnate ; Tricinate	LTNR	15245-44-0	C 6 H 3 N 3 O 9 Pb	468.30	−18.8	3.08	−573	-	> 200	(x)
Lead typhnate basic		12403-82-6	C 6 H 3 N 3 O 10 Pb 2	691.50	−12.7	3.88		-	-	(x)
Silver acetylide nitrate	SASN	15336-58-0	C 2 Ag 3 NO 3	409.63	−3.9	5.38	200	-	> 150	(x)
Cis-bis (5-nitrotetrazolato) tetraammine cobalt (III) perchlorate	BNCP	117412-28-9	C 2 H 12 ClCoN 14 O 8	454.59	−8.8	2.03				(x)
2- (5-cyanotetrazolato) pentaammine cobalt (III) perchlorate	CP	70247-32-4	C 2 H 15 Cl 2 CoN 10 O 8	437.04	−12.8	1.95			> 270	(x)
Potassium dinitrobenzofuroxanate	KDNBF	42994-94-5	C 6 HN 4 O 6 K	264.19	−42.4	2.21			> 210	(x)
Potassium picrate	KP	573-83-1	C 6 H 2 N 3 O 7 K	267.19	−38.9	1.85		-	> 310	(x)
Fiery mercury		628-86-4	C 2 N 2 O 2 Hg	284.62	−11.2	4.43	266		> 160	(x)
Sulfur nitrogen		28950-34-7	N 4 S 4	184.29	−69.5	2.23	538	622	> 130	(x)
Iodine nitrogen		14014-86-9	H 3 I 3 N 2	411.75	−5.8		158	130		(x)
Sodium nitrate		7631-99-4	NaNO 3	84.99	47.1	2.26	−468	-	309	(a)
Potassium nitrate	KN	7757-79-1	KNO 3	101.10	39.6	2.11	−495	-	334	(a)
Barium nitrate		10022-31-8	BaN 2 O 6	261.34	30.6	3.24	−992	-	~ 593	(c)
Potassium chlorate	KC	3811-04-9	KClO 3	122.55	39.2	2.32	−398	-	> 356	(a)
Potassium perchlorate	PP	7778-74-7	KClO 4	138.55	46.2	2.52	−433	-	> 400	(a)

• "~": melts at the specified temperature with decomposition.
• ">": decomposes at the specified temperature without melting.
• (a): LLNL CHEETAH Reactant Library V 1.0 (in SANDIA REPORT SAND98-1191, Unlimited Release, July 1998)
• (b): BMDobratz, PCCrawford, "LLNL Explosives Handbook, Properties of Chemical Explosives and Simulants", LLNL report UCRL 52997, Change 2, January 31, 1985
• (c): John Cunningham, Propellant Data File, Martin Marietta, Orlando Florida (1986)