Ketene
- Formula: C2H2O
- Molecular weight: 42.0367
- IUPAC Standard InChIKey: CCGKOQOJPYTBIH-UHFFFAOYSA-N
- CAS Registry Number: 463-51-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ethenone; Carbomethene; CH2CO; Keto-ethylene
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Gas phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
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 |
---|---|---|---|---|---|
ΔfH°gas | -20.85 | kcal/mol | Ion | Orlov, Krivoruchko, et al., 1986 | Author was aware that data differs from previously reported values; ALS |
ΔfH°gas | -11.4 ± 0.4 | kcal/mol | Cm | Nuttall, Laufer, et al., 1971 | ALS |
ΔfH°gas | -14.78 | kcal/mol | Cm | Rice and Greenberg, 1934 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.949 | 50. | Thermodynamics Research Center, 1997 | p=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 |
8.181 | 100. | ||
9.063 | 150. | ||
10.22 | 200. | ||
11.85 | 273.15 | ||
12.37 | 298.15 | ||
12.41 | 300. | ||
14.22 | 400. | ||
15.68 | 500. | ||
16.89 | 600. | ||
17.91 | 700. | ||
18.80 | 800. | ||
19.57 | 900. | ||
20.25 | 1000. | ||
20.84 | 1100. | ||
21.36 | 1200. | ||
21.81 | 1300. | ||
22.21 | 1400. | ||
22.55 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
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 |
---|---|---|---|---|---|
ΔvapH° | 4.9 ± 1.4 | kcal/mol | V | Reuben, 1969 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.88 ± 0.02 | 209. | A,MM | Stephenson and Malanowski, 1987 | Based 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 (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
159.3 to 223.80 | 3.97151 | 766.685 | -30.609 | Reuben, 1969, 2 | Coefficents 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center 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 |
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
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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