Thermodynamics Research Center / ThermoML | Thermochimica Acta

Triacetone triperoxide thermogravimetric study of vapor pressure and enthalpy of sublimation in 303 338 K temperature range

Felix-Rivera, H.[Hilsamar], Ramirez-Cedeno, M. L.[Michael L.], Sanchez-Cuprill, R. A.[Rhaisa A.], Hernandez-Rivera, S. P.[Samuel P.]
Thermochim. Acta 2011, 514, 1-2, 37-43
ABSTRACT
Vapor pressure measurements are critical for the development and selection of technologies for detection of energetic materials and other hazardous compounds. Peroxide based homemade energetic materials have become of increased interest due to their popular use in improvised explosive devices (IED's) and because they are not easily detected by traditional explosives detection devices. In this work, thermogravimetric analysis was used as a quick and effective assessment method of the vapor pressure and enthalpy of sublimation of acetone peroxide (a cyclic organic peroxide). The results showed an enthalpy of sublimation of 72.1 kJ mol-1 which is in good agreement with available literature. Results obtained by thermogravimetry for a series of energetic nitrocompounds were compared to the literature reported values with other methods presenting a relative error of less than 10%. The thermal data obtained in all experiments was used to find relationships between the thermal properties of these compounds and their structural properties. A correlation between enthalpy of sublimation and melting temperature and structural properties (dipole moment, moment of inertia) of the molecules studied was observed.
Compounds
# Formula Name
1 C6H6N2O2 4-nitrobenzenamine
2 C6H6N2O2 2-nitroaniline
3 C6H6N2O2 3-nitrobenzenamine
4 C7H7NO3 1-methoxy-4-nitrobenzene
5 C7H7NO2 1-methyl-4-nitrobenzene
6 C6H4N2O4 1,4-dinitrobenzene
7 C6H4N2O4 1,2-dinitrobenzene
8 C12H9NO2 4-nitrobiphenyl
9 C7H5N3O6 2,4,6-trinitrotoluene
10 C7H6N2O4 2,4-dinitrotoluene
11 C3H6N6O6 1,3,5-triaza-1,3,5-trinitrocyclohexane
12 C9H18O6 TATP
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
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 6
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 6
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 7
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 6
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 6
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 6
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 7
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 6
  • POMD
  • 9
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 6
  • POMD
  • 10
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 7
  • POMD
  • 11
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 8
  • POMD
  • 12
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Thermal Gravimetric Analyzer
  • 8