Methane
- Formula: CH4
- Molecular weight: 16.0425
- IUPAC Standard InChIKey: VNWKTOKETHGBQD-UHFFFAOYSA-N
- CAS Registry Number: 74-82-8
- 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: Marsh gas; Methyl hydride; CH4; Fire Damp; R 50; Biogas; R 50 (refrigerant)
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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 |
---|---|---|---|---|---|
ΔfH°gas | -74.87 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1961 |
ΔfH°gas | -74.6 ± 0.3 | kJ/mol | Review | Manion, 2002 | adopted recommendation of Gurvich, Veyts, et al., 1991; DRB |
ΔfH°gas | -74.5 ± 0.4 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | ALS |
ΔfH°gas | -74.85 ± 0.31 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; ALS |
ΔfH°gas | -73.4 ± 1.1 | kJ/mol | Ccb | Roth and Banse, 1932 | Reanalyzed by Cox and Pilcher, 1970, Original value = -75.19 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -890.7 ± 0.4 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | Corresponding ΔfHºgas = -74.48 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -890.35 ± 0.30 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -74.822 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -891.8 ± 1.1 | kJ/mol | Ccb | Roth and Banse, 1932 | Reanalyzed by Cox and Pilcher, 1970, Original value = -887.3 ± 1.0 kJ/mol; Corresponding ΔfHºgas = -73.39 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -890.16 ± 0.30 | kJ/mol | Cm | Rossini, 1931 | Corresponding ΔfHºgas = -75.010 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 188.66 ± 0.42 | J/mol*K | N/A | Colwell J.H., 1963 | The 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 |
S°gas,1 bar | 186.25 | J/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1961 |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.92 ± 0.25 | 279. | Halford J.O., 1957 | GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.28 | 100. | Gurvich, Veyts, et al., 1989 | p=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 |
33.51 | 200. | ||
35.69 | 298.15 | ||
35.76 | 300. | ||
40.63 | 400. | ||
46.63 | 500. | ||
52.74 | 600. | ||
58.60 | 700. | ||
64.08 | 800. | ||
69.14 | 900. | ||
73.75 | 1000. | ||
77.92 | 1100. | ||
81.68 | 1200. | ||
85.07 | 1300. | ||
88.11 | 1400. | ||
90.86 | 1500. | ||
93.33 | 1600. | ||
95.58 | 1700. | ||
97.63 | 1800. | ||
99.51 | 1900. | ||
101.24 | 2000. | ||
102.83 | 2100. | ||
104.31 | 2200. | ||
105.70 | 2300. | ||
107.00 | 2400. | ||
108.23 | 2500. | ||
109.39 | 2600. | ||
110.50 | 2700. | ||
111.56 | 2800. | ||
112.57 | 2900. | ||
113.55 | 3000. |
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 | -0.703029 | 85.81217 |
B | 108.4773 | 11.26467 |
C | -42.52157 | -2.114146 |
D | 5.862788 | 0.138190 |
E | 0.678565 | -26.42221 |
F | -76.84376 | -153.5327 |
G | 158.7163 | 224.4143 |
H | -74.87310 | -74.87310 |
Reference | Chase, 1998 | Chase, 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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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. |
---|---|
Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61313 |
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
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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