Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties, detonation characterization and free radical of N-2',4'-dinitrophenyl-3,3-dinitroazetidine

Yan, B.[Biao], Li, H.-Y.[Hong-Ya], Zhao, N.-N.[Ning-Ning], Ma, H.-X.[Hai-Xia], Song, J.-R.[Ji-Rong], Zhao, F.-Q.[Feng-Qi], Hu, R.-Z.[Rong-Zu]
J. Chem. Thermodyn. 2014, 69, 152-156
ABSTRACT
The thermal behavior of N-2',4'-dinitrophenyl-3,3-dinitroazetidine (DNPDNAZ) was studied under a non-isothermal conditions by DSC and TG/DTG methods. The apparent activation energy (Ea) and pre-exponential factor (A) of the intense exothermic decomposition reaction of DNPDNAZ were 172.26 kJ mol 1 and 1013.15 s 1, respectively. The specific molar heat capacity (Cp,m) of DNPDNAZ was determined by a continuous Cp mode of microcalorimetry and theoretical calculation. The detonation velocity (D) and pressure (P) of DNPDNAZ were estimated using the nitrogen equivalent equation according to the experimental density. The free radical signals of DNPDNAZ and 1,3,3-trinitroazetidine (TNAZ) were detected by electron spin resonance (ESR) technique, which is used to estimate their sensitivity.
Compounds
# Formula Name
1 C9H7N5O8 1-(2,4-dinitrophenyl)-3,3-dinitroazetidine
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 enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • 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