2-Butenoic acid, (E)-

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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.9450.Thermodynamics Research Center, 1997p=1 bar.
13.4100.
16.8150.
20.0200.
24.40273.15
25.88298.15
26.00300.
31.67400.
36.52500.
40.49600.
43.76700.
46.51800.
48.85900.
50.861000.
52.581100.
54.061200.
55.351300.
56.451400.
57.431500.

Condensed 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
Δcliquid-498.3kcal/molCcbClopatt, 1932Corresponding Δfliquid = -82.8 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-478.0kcal/molCcbBruylants and Stassens, 1921Corresponding Δfliquid = -103.1 kcal/mol (simple calculation by NIST; no Washburn corrections)

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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil453.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil458.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus344.7KN/AGladstone, 1959Uncertainty assigned by TRC = 1. K; TRC
Tfus344.8KN/AAnonymous, 1955Uncertainty assigned by TRC = 0.6 K; TRC
Tfus344.6KN/ALynn, 1925Uncertainty assigned by TRC = 0.4 K; as quoted in 1928 skasax 0; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
13.6368.AStephenson and Malanowski, 1987Based on data from 353. to 458. K. See also Stull, 1947.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
353. to 458.5.721882430.085-33.526Stull, 1947Coefficents calculated by NIST from author's data.

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:


Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)9.9 ± 0.1eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)196.9kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity190.kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.8PEMohmand, Hirabayashi, et al., 1981LLK
10.08PEHolmes, Terlouw, et al., 1979LLK
9.9PEVan Dam and Oskam, 1978LLK
10.28PEVan Dam and Oskam, 1978Vertical value; LLK

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.

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Clopatt, 1932
Clopatt, J.A., Eine neue Methode zur Bestimmung der Verbrennungswarme fluchtiger Stoffe, Soc. Scient. Fenn. Commentat. Phys. Math., 1932, 6, 1-15. [all data]

Bruylants and Stassens, 1921
Bruylants, P.; Stassens, A., Contribution a letude des composes a noyau trimethylenique, Bull. Cl. Sci. Acad. R. Belg., 1921, 7, 702-719. [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]

Gladstone, 1959
Gladstone, T.P., Unpublished, 1959, Shaw-Shawinigan Chemicals Ltd., Sept. 1959. [all data]

Anonymous, 1955
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 14, No. 1, Ohio State Univ., 1955. [all data]

Lynn, 1925
Lynn, G., , Thesis, 1925. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Mohmand, Hirabayashi, et al., 1981
Mohmand, S.; Hirabayashi, T.; Bock, H., Gasphasen-reaktionen, 22. Thermische erzeugung von C4H4O: Vinylketen und ethylidenketen, Chem. Ber., 1981, 114, 1609. [all data]

Holmes, Terlouw, et al., 1979
Holmes, J.L.; Terlouw, J.K.; Vijfhuizen, P.C.; A'Campo, C., Metastable ion studies XII-Molecular and fragment ion structures for isomeric C4H6O2 acids, Org. Mass Spectrom., 1979, 14, 204. [all data]

Van Dam and Oskam, 1978
Van Dam, H.; Oskam, A., He(I) and He(II) photoelectron spectra of some substituted ethylenes, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 273. [all data]


Notes

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