ABSTRACT

Combustion heats of FOX-7 and its five closed-loop derivatives were determined and the standard molar enthalpies of formation (fHdeg m) were obtained. The sequence of combustion heat for the six compounds is DNDH greater than MDNZ greater than DNDX greater than DNDZ greater than DDNI greater than FOX-7. Combustion heat tends to rise with the increase of the number of C atoms in the molecule. Specific heat capacities were measured, and the standard molar heat capacities of the six compounds are (176.59, 205.41, 207.76, 218.89, 217.76, and 215.40) J*mol 1*K 1, respectively. The specific heat capacity presents an opposite change rule with combustion heat. To the isomers and the introduction of hydroxyl group, the change rule is the same. Moreover, the introduction of hydroxyl group can markedly decrease the combustion heat and specific heat capacity.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	N2	nitrogen
3	H2O	water
4	O2	oxygen
5	C2H4N4O4	1,1-diamino-2,2-dinitroethene
6	C4H6N4O4	2-(dinitromethylene)-1,3-diazacyclopentane
7	C5H8N4O4	2-(dinitromethylene)-1,3-diazacyclohexane
8	C5H8N4O4	2-(dinitromethylene)-4-methylimidazolidine
9	C4H6N4O6	2-(dinitromethylene)imidazolidine-4,5-diol
10	C6H10N4O4	2-(dinitromethylene)-1,3-diazacycloheptane

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	9
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	9
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	9
POMD	8	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	9
POMD	9	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	9
POMD	10	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	9
RXND	5 1 2 3 4	Specific internal energy of reaction at constant volume, J/g				Static bomb calorimetry	1
RXND	6 1 2 3 4	Molar enthalpy of reaction, kJ/mol				Static bomb calorimetry	1
RXND	7 1 2 3 4	Molar enthalpy of reaction, kJ/mol				Static bomb calorimetry	1
RXND	8 1 2 3 4	Molar enthalpy of reaction, kJ/mol				Static bomb calorimetry	1
RXND	9 1 2 3 4	Molar enthalpy of reaction, kJ/mol				Static bomb calorimetry	1
RXND	10 1 2 3 4	Molar enthalpy of reaction, kJ/mol				Static bomb calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Studies on Thermodynamic Properties of FOX-7 and Its Five Closed-Loop Derivatives

Sun, Q.[Qian], Zhang, Y.[Yu], Xu, K.[Kangzheng], Ren, Z.[Zhaoyu], Song, J.[Jirong], Zhao, F.[Fengqi]

ABSTRACT