DIPPER project 871 determination of ideal-gas enthalpies of formation for key compounds, The 1991 project results
Results of a study aimed at improving group-contribution methodology for estimating thermodynamic properties of organic substances are reported. 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 condensed phase, vapor-pressure measurements, and differential scanning calorimetric (d.s.c.) heat-capacity measurements. Ideal-gas enthalpies of formation of cyclohexene, phthalan (2,5-dihydrobenzo-3,4-furan), isoxazole, n-octylamine, di-n-octylamine, tri-n-octylamine, phenyl isocyanate, and 1,4,5,6-tetrahydropyrimidine are reported. Two-phase (liquid + vapor) heat capacities were determined for phthalan, isoxazole, the three octylamines, and phenyl isocyanate. Liquid-phase densities along the saturation line were measured for phthalan and isoxazole at 298 to 425 K. The critical temperature and critical density of n-octylamine were determined from d.s.c. results and critical pressure derived from the fitting procedures. Fitting procedures were used to derive critical temperatures, pressures, and densities for cyclohexene (pressure and density only), phthalan, isoxazole, di-n-octylamine, and phenyl isocyanate. Group-additivity parameters or ring-correction terms are derived.
- Research Organization:
- National Inst. for Petroleum and Energy Research, Bartlesville, OK (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FC22-83FE60149
- OSTI ID:
- 10107077
- Report Number(s):
- NIPER--716; ON: DE94003850; BR: 35AA15000/35AA20000
- Country of Publication:
- United States
- Language:
- English
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Thermodynamic properties and ideal-gas enthalpies of formation for cyclohexene, phthalan (2,5-dihydrobenzo-3,4-furan), isoxazole, octylamine, dioctylamine, trioctylamine, phenyl isocyanate, and 1,4,5,6-tetrahydropyrimidine
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Determination of ideal-gas enthalpies of formation for key compounds:
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Thu Oct 31 23:00:00 EST 1996
· Journal of Chemical and Engineering Data
·
OSTI ID:404510
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
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Fri Oct 31 23:00:00 EST 1997
· Journal of Chemical and Engineering Data
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OSTI ID:562305
Determination of ideal-gas enthalpies of formation for key compounds:
Technical Report
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Tue Oct 01 00:00:00 EDT 1991
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OSTI ID:5093919