Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties of 3,3-dinitroazetidinium nitrate

Yan, B.[Biao], Li, H.-Y.[Hong-Ya], Guan, Y.-L.[Yu-Lei], Ma, H.-X.[Hai-Xia], Song, J.-R.[Ji-Rong], Zhao, F.-Q.[Feng-Qi]
J. Chem. Thermodyn. 2016, 103, 206-211
ABSTRACT
3,3-Dinitroazetidinium nitrate (DNAZ HNO3) was synthesized, its thermal behaviour was studied under a non-isothermal condition by DSC and TG/DTG methods. The apparent activation energy (Ea) and preexponential factor (A) for the intense exothermic decomposition process were (112.52 +- 1.37) kJ mol 1 and (1011.91+-0.06) s 1, respectively. The specific molar heat capacity (Cp,m) of DNAZ HNO3 was determined by a continuous Cp mode of micro-calorimeter, and the Cp,m is 248.32 J K 1 mol 1 at T = 298.15 K. The selfaccelerating decomposition temperature (TSADT), thermal ignition temperature (TTIT) and critical temperature of thermal explosion (Tb) were obtained to evaluate its thermal stability and safety. Its Cp,m, thermal stability and safety were compared with 3,3-dinitroazetidinium perchlorate (DNAZ HClO4) and 3,3- dinitroazetidinium chloride (DNAZ HCl).
Compounds
# Formula Name
1 C3H6N4O7 3,3-dinitroazetidinium nitrate
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
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 15