Ideal Gas Thermodynamic Properties of CH3, CD3, CD4, C2D2, C2D4, C2D6, C2H6, CH3N2CH3, and CD3N2CD3

Ideal gas thermodynamic properties, C° p ,S°,(G°−H°298)/T,H° t −H°298,ΔH° F ,ΔG° F and log K p of formation for CH3, CD3, CD4, C2D2, C2D4, C2D6, C2H6, CH3N2CH3 and CD3N2CD3 in the temperature range O–3000 K and at 1 atmosphere have calculated by statistical thermodynamic methods employing spectrosco...

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Veröffentlicht in:Journal of physical and chemical reference data 1982-01, Vol.11 (1), p.83-99
Hauptverfasser: Pamidimukkala, Krishna M., Rogers, David, Skinner, Gordon B.
Format: Artikel
Sprache:eng
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Zusammenfassung:Ideal gas thermodynamic properties, C° p ,S°,(G°−H°298)/T,H° t −H°298,ΔH° F ,ΔG° F and log K p of formation for CH3, CD3, CD4, C2D2, C2D4, C2D6, C2H6, CH3N2CH3 and CD3N2CD3 in the temperature range O–3000 K and at 1 atmosphere have calculated by statistical thermodynamic methods employing spectroscopic and other molecular constants. The rigid rotor‐harmonic oscillator model has been used. Estimated uncertainties in the thermodynamic properties due to uncertainties in the molecular properties and estimates of the effects of vibrational anharmonicities are also reported for each compound at three temperatures.
ISSN:0047-2689
1529-7845
DOI:10.1063/1.555656