Methane

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Gas phase thermochemistry data

Go To: Top, IR Spectrum, 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:
DRB - Donald R. Burgess, Jr.
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-74.87kJ/molReviewChase, 1998Data last reviewed in March, 1961
Δfgas-74.6 ± 0.3kJ/molReviewManion, 2002adopted recommendation of Gurvich, Veyts, et al., 1991; DRB
Δfgas-74.5 ± 0.4kJ/molCcbPittam and Pilcher, 1972ALS
Δfgas-74.85 ± 0.31kJ/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; ALS
Δfgas-73.4 ± 1.1kJ/molCcbRoth and Banse, 1932Reanalyzed by Cox and Pilcher, 1970, Original value = -75.19 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Δcgas-890.7 ± 0.4kJ/molCcbPittam and Pilcher, 1972Corresponding Δfgas = -74.48 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-890.35 ± 0.30kJ/molCcbProsen and Rossini, 1945Hf derived from Heat of Hydrogenation; Corresponding Δfgas = -74.822 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-891.8 ± 1.1kJ/molCcbRoth and Banse, 1932Reanalyzed by Cox and Pilcher, 1970, Original value = -887.3 ± 1.0 kJ/mol; Corresponding Δfgas = -73.39 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-890.16 ± 0.30kJ/molCmRossini, 1931Corresponding Δfgas = -75.010 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas188.66 ± 0.42J/mol*KN/AColwell J.H., 1963The calorimetric value is significantly higher than the statistically calculated entropy, 186.26 J/mol*K, which remains the best value for use in thermodynamic calculations [ Vogt G.J., 1976, Friend D.G., 1989, Gurvich, Veyts, et al., 1989]. Earlier the value of 185.3 J/mol*K was calculated from experimental data [ Giauque W.F., 1931]. The value of S(298.15 K)=185.94 J/mol*K was obtained by high accuracy ab initio calculation [ East A.L.L., 1997].; GT
Quantity Value Units Method Reference Comment
gas,1 bar186.25J/mol*KReviewChase, 1998Data last reviewed in March, 1961

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
34.92 ± 0.25279.Halford J.O., 1957GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.28100.Gurvich, Veyts, et al., 1989p=1 bar. Because of more precise method of calculation, the recommended values are more accurate, especially at high temperatures, than those obtained by [ McDowell R.S., 1963] and often regarded as reference data [ Friend D.G., 1989].; GT
33.51200.
35.69298.15
35.76300.
40.63400.
46.63500.
52.74600.
58.60700.
64.08800.
69.14900.
73.751000.
77.921100.
81.681200.
85.071300.
88.111400.
90.861500.
93.331600.
95.581700.
97.631800.
99.511900.
101.242000.
102.832100.
104.312200.
105.702300.
107.002400.
108.232500.
109.392600.
110.502700.
111.562800.
112.572900.
113.553000.

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1300.1300. to 6000.
A -0.70302985.81217
B 108.477311.26467
C -42.52157-2.114146
D 5.8627880.138190
E 0.678565-26.42221
F -76.84376-153.5327
G 158.7163224.4143
H -74.87310-74.87310
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1961 Data last reviewed in March, 1961

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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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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.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61313

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References

Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Manion, 2002
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

Gurvich, Veyts, et al., 1991
Thermodynamic Properties of Individual Substances, 4th edition, Volume 2, Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.;, ed(s)., Hemisphere, New York, 1991. [all data]

Pittam and Pilcher, 1972
Pittam, D.A.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 8.-Methane, ethane, propane, n-butane and 2-methylpropane, J. Chem. Soc. Faraday Trans. 1, 1972, 68, 2224-2229. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Roth and Banse, 1932
Roth, W.A.; Banse, H., Die verbrennungs- und bildungswarme von kohlenoxyd und methan, Arch. Eisenhutten., 1932, 6, 43-46. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Rossini, 1931
Rossini, F.D., The heats of combustion of methane and carbon monoxide, J. Res. NBS, 1931, 6, 37-49. [all data]

Colwell J.H., 1963
Colwell J.H., Thermodynamic properties of CH4 and CD4. Interpretation of the properties of solid, J. Chem. Phys., 1963, 39, 635-653. [all data]

Vogt G.J., 1976
Vogt G.J., Entropy and heat capacity of methane; spin-species conversion, J. Chem. Thermodyn., 1976, 8, 1011-1031. [all data]

Friend D.G., 1989
Friend D.G., Thermophysical properties of methane, J. Phys. Chem. Ref. Data, 1989, 18, 583-638. [all data]

Gurvich, Veyts, et al., 1989
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B., Thermodynamic Properties of Individual Substances, 4th ed.; Vols. 1 and 2, Hemisphere, New York, 1989. [all data]

Giauque W.F., 1931
Giauque W.F., The entropies of methane and ammonia, Phys. Rev., 1931, 38, 196-197. [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]

Halford J.O., 1957
Halford J.O., Standard heat capacities of gaseous methanol, ethanol, methane and ethane at 279 K by thermal conductivity, J. Phys. Chem., 1957, 61, 1536-1539. [all data]

McDowell R.S., 1963
McDowell R.S., Thermodynamic functions of methane, J. Chem. Eng. Data, 1963, 8, 547-548. [all data]


Notes

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