Determination of some pure compound ideal-gas enthalpies of formation

Technical Report · Thu Jun 01 00:00:00 EDT 1989

DOI:https://doi.org/10.2172/6020818· OSTI ID:6020818

Steele, W. V.; Chirico, R. D.; Nguyen, A.; Hossenlopp, I. A.; Smith, N. K.

The results of a study aimed at improvement of group-additivity methodology for estimation of thermodynamic properties of organic substances are reported. Specific weaknesses where ring corrections were unknown or next-nearest-neighbor interactions were only estimated because of lack of experimental data are addressed by experimental studies of enthalpies of combustion in the condensed- phase and vapor pressure measurements. Ideal-gas enthalpies of formation are reported for acrylamide, succinimide, ..gamma..-butyrolactone, 2-pyrrolidone, 2,3-dihydrofuran, 3,4-dihydro-2H-pyran, 1,3-cyclohexadiene, 1,4-cyclohexadiene, and 1-methyl-1-phenylhydrazine. Ring corrections, group terms, and next-nearest-neighbor interaction terms useful in the application of group additivity correlations are derived. 44 refs., 2 figs., 59 tabs.

• Research Organization: National Inst. for Petroleum and Energy Research, Bartlesville, OK (USA)
• Sponsoring Organization: USDOE
• DOE Contract Number: FC22-83FE60149
• OSTI ID: 6020818
• Report Number(s): NIPER-319; ON: DE89000748
• Country of Publication: United States
• Language: English

Related Subjects

02 PETROLEUM
023000* -- Petroleum-- Properties & Composition
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
ACRYLAMIDE
AMIDES
AZOLES
CHEMICAL REACTIONS
COMBUSTION
DIENES
ENTHALPY
ESTERS
EVAPORATION
FURANS
HETEROCYCLIC COMPOUNDS
HYDRAZINE
HYDROCARBONS
LACTAMS
LACTONES
NITROGEN COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
OXIDATION
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
POLYENES
PYRANS
PYRROLES
PYRROLIDONES
SPECIFIC HEAT
THERMOCHEMICAL PROCESSES
THERMODYNAMIC PROPERTIES
VAPOR PRESSURE