Ethane
- Formula: C2H6
- Molecular weight: 30.0690
- IUPAC Standard InChIKey: OTMSDBZUPAUEDD-UHFFFAOYSA-N
- CAS Registry Number: 74-84-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Species with the same structure:
- Isotopologues:
- Other names: Bimethyl; Dimethyl; Ethyl hydride; Methylmethane; C2H6; UN 1035; UN 1961
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Gas phase thermochemistry data
Go To: Top, Ion clustering 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 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 | -84. ± 0.4 | kJ/mol | Review | Manion, 2002 | adopted recommendation of Gurvich, Veyts, et al., 1991; DRB |
| ΔfH°gas | -83.8 ± 0.3 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | ALS |
| ΔfH°gas | -84.67 ± 0.49 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -1560.7 ± 0.3 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | Corresponding ΔfHºgas = -83.85 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°gas | -1559.9 ± 0.46 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -84.64 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°gas | -1559.8 ± 0.46 | kJ/mol | Ccb | Rossini, 1934 | Corresponding ΔfHºgas = -84.68 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 35.70 | 100. | Gurvich, Veyts, et al., 1989 | p=1 bar. Recommended entropies and heat capacities are in good agreement with those obtained from other statistical thermodynamic calculations [ Pitzer K.S., 1944, Chao J., 1973, Pamidimukkala K.M., 1982].; GT |
| 42.30 | 200. | ||
| 52.49 | 298.15 | ||
| 52.71 | 300. | ||
| 65.46 | 400. | ||
| 77.94 | 500. | ||
| 89.19 | 600. | ||
| 99.14 | 700. | ||
| 107.94 | 800. | ||
| 115.71 | 900. | ||
| 122.55 | 1000. | ||
| 128.55 | 1100. | ||
| 133.80 | 1200. | ||
| 138.39 | 1300. | ||
| 142.40 | 1400. | ||
| 145.90 | 1500. | ||
| 148.98 | 1600. | ||
| 151.67 | 1700. | ||
| 154.04 | 1800. | ||
| 156.14 | 1900. | ||
| 158.00 | 2000. | ||
| 159.65 | 2100. | ||
| 161.12 | 2200. | ||
| 162.43 | 2300. | ||
| 163.61 | 2400. | ||
| 164.67 | 2500. | ||
| 165.63 | 2600. | ||
| 166.49 | 2700. | ||
| 167.28 | 2800. | ||
| 168.00 | 2900. | ||
| 168.65 | 3000. |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 41.66 ± 0.31 | 189.20 | Halford J.O., 1957 | Please also see Eucken A., 1933, Kistiakowsky G.B., 1939, Dailey B.P., 1943.; GT |
| 43.25 ± 0.32 | 209.30 | ||
| 45.08 ± 0.34 | 229.65 | ||
| 47.27 ± 0.35 | 249.90 | ||
| 47.17 ± 0.35 | 250.15 | ||
| 49.68 ± 0.37 | 272.00 | ||
| 49.51 ± 0.04 | 272.07 | ||
| 50.66 ± 0.42 | 279.00 | ||
| 52.14 ± 0.39 | 292.00 | ||
| 53.27 ± 0.07 | 302.70 | ||
| 57.40 ± 0.04 | 335.82 | ||
| 58.91 | 347.65 | ||
| 60.38 | 359.75 | ||
| 61.04 ± 0.10 | 364.78 | ||
| 62.10 ± 0.47 | 373.60 | ||
| 63.89 | 387.55 | ||
| 72.43 | 451.95 | ||
| 80.08 | 520.55 | ||
| 86.27 | 561.65 | ||
| 90.46 | 603.25 |
Ion clustering data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
RCD - Robert C. Dunbar
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Al+ + C2H6 = (Al+ • C2H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 38. ± 8.4 | kJ/mol | CIDC,EqG | Stockigt, Schwarz, et al., 1996 | Anchored to theory; RCD |
By formula: C2H4+ + C2H6 = (C2H4+ • C2H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 64.0 | kJ/mol | PHPMS | Hiraoka and Kebarle, 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 88. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1980 | gas phase; M |
By formula: (Co+ • CH4) + C2H6 = (Co+ • C2H6 • CH4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrS° | 108. | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 119. (+5.4,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
By formula: Co+ + C2H6 = (Co+ • C2H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrS° | 93.3 | J/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+)CH4, ΔrS(500 K); M |
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 100. (+5.0,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
| 117. (+6.7,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+)CH4, ΔrS(500 K); M |
By formula: (Co+ • 2C2H6) + C2H6 = (Co+ • 3C2H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 50. | kJ/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH<; M |
By formula: Fe+ + C2H6 = (Fe+ • C2H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 70. ± 10. | kJ/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; M |
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 64.0 (+5.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Ni+ + C2H6 = (Ni+ • C2H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 120. ± 10. | kJ/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; M |
References
Go To: Top, Gas phase thermochemistry data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Rossini, 1934
Rossini, F.D.,
Calorimetric determination of the heats of combustion of ethane, propane, normal butane, and normal pentane,
J. Res. NBS, 1934, 12, 735-750. [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]
Pitzer K.S., 1944
Pitzer K.S.,
Thermodynamics of gaseous paraffins. Specific heat and related properties,
Ind. Eng. Chem., 1944, 36, 829-831. [all data]
Chao J., 1973
Chao J.,
Ideal gas thermodynamic properties of ethane and propane,
J. Phys. Chem. Ref. Data, 1973, 2, 427-438. [all data]
Pamidimukkala K.M., 1982
Pamidimukkala K.M.,
Ideal gas thermodynamic properties of CH3, CD3, CD4, C2D2, C2D4, C2D6, C2H6, CH3N2CH3, and CD3N2CD3,
J. Phys. Chem. Ref. Data, 1982, 11, 83-99. [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]
Eucken A., 1933
Eucken A.,
Molar heats and normal frequencies of ethane and ethylene,
Z. Phys. Chem., 1933, B20, 184-194. [all data]
Kistiakowsky G.B., 1939
Kistiakowsky G.B.,
Gaseous heat capacities. I. The method and the heat capacities of C2H6 and C2D6,
J. Chem. Phys., 1939, 7, 281-288. [all data]
Dailey B.P., 1943
Dailey B.P.,
The heat capacities at higher temperatures of ethane and propane,
J. Am. Chem. Soc., 1943, 65, 42-44. [all data]
Stockigt, Schwarz, et al., 1996
Stockigt, D.; Schwarz, J.; Schwarz, H.,
Theoretical and Experimental Studies on the Bond Dissociation Energies of Al(methane)+, Al(acetylene)+, Al(ethene)+, and Al(ethane)+,
J. Phys. Chem., 1996, 100, 21, 8786, https://doi.org/10.1021/jp960060k
. [all data]
Hiraoka and Kebarle, 1980
Hiraoka, K.; Kebarle, P.,
Ion Molecule Reactions in Ethane. Thermochemistry and Structures of the Intermediate Complexes: C4H11+ and C4H10+ Formed in the Reactions of C2H5+ and C2H4+ with C2H6,
Can. J. Chem., 1980, 58, 21, 2262, https://doi.org/10.1139/v80-364
. [all data]
Kemper, Bushnell, et al., 1993
Kemper, P.R.; Bushnell, J.; Von Koppen, P.; Bowers, M.T.,
Binding Energies of Co+(H2/CH4/C2H6)1,2,3 Clusters,
J. Phys. Chem., 1993, 97, 9, 1810, https://doi.org/10.1021/j100111a016
. [all data]
Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L.,
Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]
Carpenter, van Koppen, et al., 1995
Carpenter, C.J.; van Koppen, P.A.M.; Bowers, M.T.,
Details of Potential Energy Surfaces Involving C-C Bond Activation: Reactions of Fe+, Co+ and Ni+ with Acetone,
J. Am. Chem. Soc., 1995, 117, 44, 10976, https://doi.org/10.1021/ja00149a021
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Ion clustering data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas T Temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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