Ideal gas thermodynamic properties

This semi-empirical method is recommended as a convenient and economic alternative to determine ideal gas thermodynamic properties of oxygenated heterocycles. 

The molecular parameters for C60H2n can be obtained by the methods of quantum chemistry. The energy of molecules as well as the formation enthalpy is a function of composition and structure of molecules. So, the sequence of computational procedures for calculation of the ideal-gas thermodynamic properties can be presented as the following schemes (Figs. 4.7 and 4.8). 

A report on the ideal gas thermodynamic properties of sulfur heterocyclic compounds lists data on tetrahydrothio-pyran and 5,6-dihydrothiopyran <1995MI1351>. 

Answer Using the ideal gas thermodynamic properties the compression details were calculated and are summarized in the two tables below. 

The ideal gas thermodynamic properties of 1,3-dithiane <95MI 608-03) and 1,3-dioxane <92MI 608-... 

Finally, for C-J temperatures above the boiling point of the metal, consideration should be given to the possible existence of distinct species in the gas phase. To include them as components in the assumed set of detonation gases requires knowledge of their molecular geometry and ideal-gas thermodynamic properties (e.g., heat capacity as a function of temperature and heat and entropy of formation). In the absence of such data, it is possible to predict the molecular geometry and thermodynamic properties via quantum-chemical and statistical-thermodynamic calculations, respectively, or to estimate them by analogy with known related molecules. 

Ideal gas thermodynamic properties (ATT/293, 3 °298 and Cp(T), 300 < T (K) < 1500) of 34 cyclic oxygenated hydrocarbons (including 1,2,3-, 1,2,4-, and 1,3,5-trioxane, and 1,2,3- and 1,2,4-trioxene) have been calculated using the PM3 method <1997PCA2471>. Particular correlations of theoretical versus experimental properties were obtained and... 

Table 9 Ideal gas thermodynamic properties for 1,3,5-trloxane and 1,3,5-trlthlane at 1 bar and 298.15 K <1992MI121, 1995MI1351>...

No potentially aromatic (or antiaromatic) derivatives of 1,3-dioxocin (2) have been prepared. As discussed above, the potential aromatic stabilization of the fully conjugated compound has been addressed theoretically <91RRC333>. The ideal gas thermodynamic properties of 1,3-dioxocane,... 

AN ANALYTICAL METHOD FOR PREDICTING HYDROCARBON IDEAL GAS THERMODYNAMIC PROPERTIES. M.S. THESIS. 

J. Chao, R. C. Wilhoit and B. J. Zwolinski, Ideal gas thermodynamic properties of ethane and propane , J. Phys. Chem. Ref. Data, 2, 427 (1973). Review and evaluation of structural parameters (including vibrational frequencies and internal rotation properties) tabulation of thermodynamic properties [C°, S°, H° — H°), (H° — H )/T, - G°-Hl)/T, AfG°,AfH°, logK ] for 0< T (K)< l500 calculated by statistical thermodynamic methods [rigid-rotor harmonic oscillator (RRHO) approximation]. 

Cooper, J.R., 1982, Representation of the ideal-gas thermodynamic properties of water. Int. 

The calculation of ideal gas thermodynamic properties of detonation products is performed using a code called TDF. It was first written in IBM 7090 machine language in the late 1950 s. It was later written for the IBM 7030. A FORTRAN version was written in the late 1960 s and made available through the COSMIC library for computer programs. The ideal gas thermodynamic properties of detonation products were compiled and made available as references 2 and 3. 

Charles L. Mader, Ideal Gas Thermodynamic Properties of Detonation Products , Los Alamos Scientific Laboratory unpublished report AECU-4508 (1959). 

Burcat, A. (1982). Ideal Gas Thermodynamic Properties of C3 Cyclic Compounds, TAE Report No. 476, Technion, Haifa. 

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