Thermodynamic properties of ideal gas nitro and nitrate compounds

The ideal gas thermodynamic properties of 27 organic nitro and nitrate organic compounds and two of their radicals are presented. Most of these compounds are high explosives (TNT, RDX, HMX, PETN, NPN, and NG), while others serve as propellants or specialty fuels (such as nitromethane). The thermodynamic properties were calculated using fundamental molecular data. The molecular data were gathered from the literature or calculated for this purpose. The enthalpy of formation of gaseous 1-nitropentane was estimated to be - 164.431 kJ mol(-1) (- 39.3 +/- 0.5 kcal mol(-1)); that of 1-nitrohexane to be - 185.351 kJ mol(-1) (- 44.3 +/- 0.7 kcal mol(-1)) for the ideal gas and - 241.835 kJ mol(-1) (- 57.8 +/- 0.7 kcal mol(-1)) for the liquid. All values refer to 298.15 K. (C) 1999 American Institute of Physics and American Chemical Society. [S0047-2689(99)00301-3].