Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties, detonation characterisation and free radical of N-acetyl-3,3-dinitroazetidine

Li, H.-Y.[Hong-Ya], Yan, B.[Biao], Bai, K.-Q.[Kai-Qi], Liu, H.[Huan], Ma, H.-X.[Hai-Xia], Song, J.-R.[Ji-Rong], Yan, L.[Long]
J. Chem. Thermodyn. 2015, 91, 240-244
ABSTRACT
N-acetyl-3,3-dinitroazetidine (ADNAZ) is an important precursor for synthesizing new multinitroazetidine energetic compounds. Its thermal behaviour was studied under a non-isothermal condition by DSC and TG/DTG methods, the results show that there are one melting process and one endothermic decomposition process. The specific molar heat capacity (Cp,m) of ADNAZ was determined by a continuous Cp mode of micro-calorimeter and theoretical calculation, and the Cp,m of ADNAZ was 240.37 J K 1 mol 1 at T = 298.15 K. The detonation velocity (D) and detonation pressure (P) of ADNAZ were estimated using the nitrogen equivalent equation according to the experimental density, the value of D and P are (6685.83 +- 3.12) m s 1 and (18.36 +- 0.02) GPa, respectively. The free radical signals of ADNAZ were detected by electron spin resonance (ESR) technique, which is used to estimate its sensitivity.
Compounds
# Formula Name
1 C5H7N3O5 N-acetyl-3,3-dinitro azetidine
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