Physical and Chemical Properties of Hexanitroethane

Borgardt, F. G.; Gallaghan, John A.; Hoffman, C. J.; Noble, Paul N.; Reed, W. L.

doi:10.2514/3.1544

Cited by 11 publications

(1 citation statement)

References 4 publications

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“…Only compounds for which the deviations are greater than (5 to 7) kJ•mol −1 , may be regarded as having an error in the experimental data. In Figure 2, these compounds are labeled by their numbers in accordance with Table 1; the numbers are not given for some species with estimated values of Δ sub H 298 o (48,57) or Δ f H 298 o (g) (51,52). The analysis of the deviations between the experimental and calculated values and the detection of possible errors in the experimental data is given in Section 3.2.…”

Section: Resultsmentioning

confidence: 99%

Use of G4 Theory for the Assessment of Inaccuracies in Experimental Enthalpies of Formation of Aliphatic Nitro Compounds and Nitramines

Suntsova

Дорофеева

2014

J. Chem. Eng. Data

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The gas-phase enthalpies of formation (Δ f H 298 o ) of 57 aliphatic nitro compounds and nitramines (mono-and polynitro compounds including cyclic compounds and well-known explosives such as hexogen, octogen, and CL-20) were calculated using the Gaussian-4 (G4) theory applied to the atomization and isodesmic reaction energies. The Δ f H 298 o (g) values calculated from the atomization reactions were underestimated by an average of 10 kJ·mol −1 , and they could not be used for the assessment of inaccuracies in the experimental enthalpies of formation. Much better agreement between theory and experiment was obtained using the isodesmic reaction procedure. Several isodesmic reactions were investigated for each compound. Evidence of high accuracy of most experimental data was provided by the agreement with theoretical results. The differences between the calculated and the experimental enthalpies of formation in the range from (8 to 53) kJ·mol −1 were assigned to possible errors in the experimental values for 17 compounds. The theoretical Δ f H 298 o (g) values were recommended for these compounds as being more reliable than the experimental values. As a result, a reference data set of internally consistent gas-phase enthalpies of formation of nitro compounds and nitramines was provided. Both experimental and calculated values are included in this data set. The enthalpies of sublimation or vaporization were evaluated for some compounds by taking into account the literature data on the condensed phase enthalpies of formation and the Δ f H 298 o (g) values recommended in our work. Thus, a set of self-consistent values of the enthalpy of formation in both condensed and gaseous phases and the enthalpy of sublimation or vaporization is presented for most of nitro compounds studied.

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Section: Resultsmentioning

confidence: 99%

Use of G4 Theory for the Assessment of Inaccuracies in Experimental Enthalpies of Formation of Aliphatic Nitro Compounds and Nitramines

Suntsova

Дорофеева

2014

J. Chem. Eng. Data

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Experiments with solid fuel for a pulsed co₂ gas dynamic laser

Yellin

Gabai

1975

J. Appl. Chem.

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Experiments with solid fuel for a pulsed CO2 gas dynamic laser are reported. The oxidation of solid cyanurictriazide, C3N12, was carried out by solid hexanitroethane under vacuum or in nitrogen atmosphere, and by the gaseous oxidants N2O diluted in N2 or in air. The best results are achieved by combustion of cyanurictriazide in air. The laser output energy from this solid fuel is equivalent to that achieved by gaseous fuel, at the same experimental lasing conditions.

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