Ketene

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-87.24kJ/molIonOrlov, Krivoruchko, et al., 1986Author was aware that data differs from previously reported values; ALS
Δfgas-48. ± 2.kJ/molCmNuttall, Laufer, et al., 1971ALS
Δfgas-61.84kJ/molCmRice and Greenberg, 1934ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.2650.Thermodynamics Research Center, 1997p=1 bar. Selected entropies and heat capacities are in excellent agreement with statistically calculated values [ Cox A.P., 1963, Moore C.B., 1963] and value of S(298.15 K) calculated by ab initio method [ East A.L.L., 1997]. Maximum discrepancies with earlier calculations [ Drayton L.G., 1948, Sundaram S., 1960] amount to 6 and 4 J/mol*K for S(T) and Cp(T), respectively. S(T) values calculated by [ Zhuravlev E.Z., 1959] are 11-13 J/mol*K lower than recommended ones.; GT
34.23100.
37.92150.
42.74200.
49.59273.15
51.75298.15
51.91300.
59.49400.
65.61500.
70.66600.
74.94700.
78.64800.
81.88900.
84.711000.
87.191100.
89.351200.
91.251300.
92.911400.
94.361500.

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:
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
Δvap20.4 ± 5.9kJ/molVReuben, 1969ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
20.4 ± 0.1209.A,MMStephenson and Malanowski, 1987Based on data from 159. to 224. K. See also Reuben, 1969, 2.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
159.3 to 223.803.97722766.685-30.609Reuben, 1969, 2Coefficents calculated by NIST from author's data.

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 55

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

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

Orlov, Krivoruchko, et al., 1986
Orlov, V.M.; Krivoruchko, A.A.; Misharev, A.D.; Takhistov, V.V., Enthalpy of vapor phase formation of ketene, ethynol, and their analogs, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 2404-2405. [all data]

Nuttall, Laufer, et al., 1971
Nuttall, R.L.; Laufer, A.H.; Kilday, M.V., The enthalpy of formation of ketene, J. Chem. Thermodyn., 1971, 3, 167-174. [all data]

Rice and Greenberg, 1934
Rice, F.O.; Greenberg, J., Ketene. III. Heat of formation and heat of reaction with alcohols, J. Am. Chem. Soc., 1934, 38, 2268-2270. [all data]

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]

Cox A.P., 1963
Cox A.P., Fundamental vibrational frequencies in ketene and the deuteroketenes, J. Chem. Phys., 1963, 38, 1636-1643. [all data]

Moore C.B., 1963
Moore C.B., Infrared spectrum and vibrational potential function of ketene and the deuterated ketenes, J. Chem. Phys., 1963, 38, 2816-2829. [all data]

East A.L.L., 1997
East A.L.L., Ab initio statistical thermodynamical models for the computation of third-law entropies, J. Chem. Phys., 1997, 106, 6655-6674. [all data]

Drayton L.G., 1948
Drayton L.G., The infrared spectrum of ketene, J. Chem. Soc., 1948, 1416-1419. [all data]

Sundaram S., 1960
Sundaram S., Potential energy constants, rotational distortion constants, and thermodynamic properties of H2C=C=O and D2C=C=O, J. Chem. Phys., 1960, 32, 1554-1556. [all data]

Zhuravlev E.Z., 1959
Zhuravlev E.Z., Isotopic effect on thermodynamic functions of some organic deuterocompounds in the ideal gas state, Tr. Khim. i Khim. Tekhnol., 1959, 2, 475-485. [all data]

Reuben, 1969
Reuben, B.G., Vapor pressure of ketene, J. Chem. Eng. Data, 1969, 14, 235. [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]

Reuben, 1969, 2
Reuben, Bryan G., Vapor pressure of ketene, J. Chem. Eng. Data, 1969, 14, 2, 235-236, https://doi.org/10.1021/je60041a008 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References