Thermodynamic properties and ideal-gas enthalpies of formation for dicyclohexyl sulfide, diethylenetriamine, di-n-octyl sulfide, dimethyl carbonate, piperazine, hexachloroprop-1-ene, tetrakis(dimethylamino)ethylene, N,N{prime}-bis-(2-hydroxyethyl)ethylenediamine, and 1,2,4-triazolo[1,5-a]pyrimidine
- National Inst. for Petroleum and Energy Research, Bartlesville, OK (United States)
The results of the study are aimed at improvement of group-contribution methodology for estimation of thermodynamic properties of organic substances. Specific weaknesses where particular group-contribution terms were unknown, or estimated because of lack of experimental data, are addressed by experimental studies of enthalpies of combustion in the condensed phase, vapor-pressure measurements, and differential scanning calorimetric (DSC) heat-capacity measurements. Ideal-gas enthalpies of formation of hexachloroprop-1-ene, N,N{prime}-bis(2-hydroxyethyl)ethylenediamine, dimethyl carbonate, di-n-octyl sulfide, dicyclohexyl sulfide, diethylenetriamine, tetrakis(dimethylamino)ethylene, piperazine, and 1,2,4-triazolo[1,5-a]pyrimidine are reported. Enthalpies of fusion were determined for N,N{prime}-bis(2-hydroxyethyl)ethylenediamine, piperazine and 1,2,4-triazolo[1,5-a]pyrimidine. Two-phase (solid + vapor) or (liquid + vapor) heat capacities were determined from 300 K to the critical region or earlier decomposition temperature for each compound studied. Liquid-phase densities along the saturation line were measured for N,N{prime}-bis(2-hydroxyethyl)ethylenediamine, dimethyl carbonate, and dicyclohexyl sulfide. For dimethyl carbonate and piperazine, critical temperatures and critical densities were determined from the DSC results and corresponding critical pressures derived from the fitting procedures. Fitting procedures were used to derive critical temperatures, critical pressures, and critical densities for hexachloroprop-1-ene, di-n-octyl sulfide, dicyclohexyl sulfide, and diethylenetriamine. Group-additivity parameters and 1,4-interaction terms useful in the application of group-contribution correlations were derived.
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FC22-83FE60149
- OSTI ID:
- 562305
- Journal Information:
- Journal of Chemical and Engineering Data, Vol. 42, Issue 6; Other Information: PBD: Nov-Dec 1997
- Country of Publication:
- United States
- Language:
- English
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