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

Standard Enthalpy of Formation, Thermal Behavior, and Specific Heat Capacity of 2HNIW*HMX Co-crystals

Zhang, Shijie, Zhang, Jiaoqiang, Kou, Kaichang, Jia, Qian, Xu, Yunlong, Liu, Ning, Hu, Rongzu
J. Chem. Eng. Data 2019, 64, 1, 42-50
ABSTRACT
Co-crystallization is an effective approach to improving the performance of energetic materials, and study on the properties of energetic co-crystal has been attracted more attention. The 2HNIW*HMX co-crystal was successfully synthesized, and characterized by several means. The standard enthalpy of formation of 2HNIW*HMX co-crystal is obtained as 868.5980.128 kJ*mol-1 under the direction of a designed thermochemical cycle with a Calvet micro-calorimeter. The thermal decomposition behavior of 2HNIW*HMX co-crystal was studied under the non-isothermal condition with DSC. A continuous Cp mode of Micro-DSC III was used to determine the specific heat capacity (Cp,m) of the target co-crystal, and the Cp,m is 1114.04 J*mol-1*K-1 at 298.15 K. These results could provide valuable information of 2HNIW*HMX co-crystal for its theory and application.
Compounds
# Formula Name
1 C6H6N12O12 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane
2 C4H8N8O8 cyclotetramethylene tetranitramine
3 C2H3N acetonitrile
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
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal of intercomponent compound 1
  • Temperature, K; Crystal of intercomponent compound 1
  • Pressure, kPa; Crystal of intercomponent compound 1
  • Mole fraction - 1; Crystal of intercomponent compound 1
  • Crystal of intercomponent compound 1
  • DSC
  • 10
  • POMD
  • 1
  • 3
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 1
  • POMD
  • 2
  • 1
  • 3
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Calvet calorimetry
  • 1