Isoxazole

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas82.0 ± 0.6kJ/molCcrSteele, Chirico, et al., 1996 
Δfgas78.58 ± 0.54kJ/molCcbMcCormick and Hamilton, 1978see McCormick, 1977

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil367.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil368.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tc590.KN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 3. K; fitting parameter in Wagner equation for vapor pressure; TRC
Quantity Value Units Method Reference Comment
Pc61.00barN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 4.00 bar; from extrapolation of obs. vapor pressure to Tc; TRC
Quantity Value Units Method Reference Comment
ρc5.237mol/lN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 0.29 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap37.24 ± 0.22kJ/molVSteele, Chirico, et al., 1996ALS
Δvap37.2 ± 0.2kJ/molEBSteele, Chirico, et al., 1996Based on data from 314. to 404. K.; AC
Δvap36.4 ± 0.04kJ/molCMcCormick and Hamilton, 1978see McCormick, 1977; ALS
Δvap36.5 ± 0.1kJ/molCMcCormick and Hamilton, 1978AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Tasker, I.R., 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, J. Chem. Eng. Data, 1996, 41, 1269-1284. [all data]

McCormick and Hamilton, 1978
McCormick, D.G.; Hamilton, W.S., The enthalpies of combustion and formation of oxazole and isoxazole, J. Chem. Thermodyn., 1978, 10, 275-278. [all data]

McCormick, 1977
McCormick, D.G., The resonance energies of oxazole and isoxazole determined from the enthalpies of combustion and formation (Order No. 7801771), Diss. Abstr. Int. B, 1977, 38, 4271. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Steele, Chirico, et al., 1996, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Tasker, I.R., Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for Dioctylamine, trioctylamine, Phenyl Isocyanate, and 1,4,5,6-Tetrahydropyrimidine, J. Chem. Eng. Data, 1996, 41, 1269-84. [all data]


Notes

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