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
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Isotopologues:
- Other names: Bimethyl; Dimethyl; Ethyl hydride; Methylmethane; C2H6; UN 1035; UN 1961
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Reaction thermochemistry data
Go To: Top, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: Co+ + C2H6 = (Co+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 22.3 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+)CH4, ΔrS(500 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.9 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
28.0 (+1.6,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+)CH4, ΔrS(500 K); M |
By formula: (Co+ • CH4) + C2H6 = (Co+ • C2H6 • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 25.9 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.4 (+1.3,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; switching reaction(Co+).2CH4, ΔrS(480 K); M |
3 (g) + (l) = AlH3O3 (amorphous) + 3 (g)
By formula: 3H2O (g) + C6H15Al (l) = AlH3O3 (amorphous) + 3C2H6 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -154.7 ± 1.5 | kcal/mol | RSC | Fowell, 1961 | Please also see Cox and Pilcher, 1970. Liquid triethylaluminum contains a very small molar fraction of monomer at 298 K, ca. 0.1% Smith, 1967, so that the "real" liquid should be described as [Al(Et)3]2.; MS |
C2H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 420.1 ± 2.0 | kcal/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 421.0 ± 2.0 | kcal/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 411.7 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: (Co+ • C2H6) + CH4 = (Co+ • CH4 • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 26.4 | cal/mol*K | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
24.4 (+1.1,-0.) | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrS(490 K); M |
By formula: HBr (g) + C2H5Li (cr) = C2H6 (g) + BrLi (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -82.62 ± 0.48 | kcal/mol | RSC | Holm, 1974 | Please also see Pedley and Rylance, 1977. The reaction enthalpy was quoted from Pedley and Rylance, 1977. See Liebman, Martinho Simões, et al., 1995 for comments; MS |
By formula: C5O5W (g) + C2H6 (g) = C7H6O5W (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.4 ± 2.0 | kcal/mol | EqG | Brown, Ishikawa, et al., 1990 | Temperature range: ca. 300-350 K; MS |
ΔrH° | -9.7 ± 3.0 | kcal/mol | EqG | Ishikawa, Brown, et al., 1988 | Temperature range: 298-363 K; MS |
By formula: Fe+ + C2H6 = (Fe+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. ± 3. | kcal/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.3 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -34.18 ± 0.23 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -35.32 ± 0.12 kcal/mol; At 250 C; ALS |
By formula: 2H2 + C2H4Cl2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.66 ± 0.25 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -34.65 ± 0.12 kcal/mol; At 250C; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -74.58 ± 0.15 | kcal/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -75.06 ± 0.66 kcal/mol; At 355 K; ALS |
(l) + ( • 100) (solution) = 2 (g) + ( • 100) (solution)
By formula: C4H10Zn (l) + (H2O4S • 100H2O) (solution) = 2C2H6 (g) + (O4SZn • 100H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -84.7 ± 1.0 | kcal/mol | RSC | Carson, Hartley, et al., 1949 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -32.6 ± 0.5 | kcal/mol | Chyd | Kistiakowsky and Nickle, 1951 | gas phase; ALS |
ΔrH° | -32.58 ± 0.06 | kcal/mol | Chyd | Kistiakowsky, Romeyn, et al., 1935 | gas phase; ALS |
2 (g) + (l) = AlCl3 (cr) + 2 (g)
By formula: 2HCl (g) + C4H10AlCl (l) = AlCl3 (cr) + 2C2H6 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.34 ± 0.79 | kcal/mol | RSC | Shaulov and Shmyreva, 1968 | The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS |
By formula: C2H4+ + C2H6 = (C2H4+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1980 | gas phase; M |
By formula: 2H2 + C2H3Cl = C2H6 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -51.2 ± 0.2 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | gas phase; At 298 K, see Lacher, Kianpour, et al., 1956; ALS |
(g) + C2H5BrMg (solution) = (solution) + Br2Mg (solution)
By formula: HBr (g) + C2H5BrMg (solution) = C2H6 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -71.51 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
By formula: (Co+ • 2C2H6) + C2H6 = (Co+ • 3C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. | kcal/mol | SIDT | Kemper, Bushnell, et al., 1993 | gas phase; ΔrH<; M |
By formula: Al+ + C2H6 = (Al+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 ± 2.0 | kcal/mol | CIDC,EqG | Stockigt, Schwarz, et al., 1996 | Anchored to theory; RCD |
By formula: 2H2 + C2H3Br = HBr + C2H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -47.61 ± 0.46 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1957 | gas phase; ALS |
By formula: H2 + 2C2H5I = 2C2H6 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -21.2 ± 0.80 | kcal/mol | Chyd | Ashcroft, Carson, et al., 1965 | liquid phase; ALS |
By formula: H2 + C2H5Br = HBr + C2H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.11 ± 0.27 | kcal/mol | Chyd | Fowell, Lacher, et al., 1965 | gas phase; ALS |
By formula: H2 + 2C2H5Br = 2C2H6 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.6 ± 3.0 | kcal/mol | Chyd | Ashcroft, Carson, et al., 1965 | liquid phase; ALS |
By formula: H2 + C2H5Cl = C2H6 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.6 ± 0.1 | kcal/mol | Chyd | Lacher, Emery, et al., 1956 | gas phase; ALS |
By formula: Ni+ + C2H6 = (Ni+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29. ± 3. | kcal/mol | MKER | Carpenter, van Koppen, et al., 1995 | gas phase; M |
Mass spectrum (electron ionization)
Go To: Top, Reaction 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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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. |
---|---|
NIST MS number | 23 |
References
Go To: Top, Reaction thermochemistry 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.
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]
Fowell, 1961
Fowell, P.A.,
Ph. D. Thesis, University of Manchester, 1961. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds
in Academic Press, New York, 1970. [all data]
Smith, 1967
Smith, M.B.,
J. Phys. Chem., 1967, 71, 364. [all data]
DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R.,
The Gas Phase Acidities of the Alkanes,
J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003
. [all data]
DePuy, Bierbaum, et al., 1984
DePuy, C.H.; Bierbaum, V.M.; Damrauer, R.,
Relative Gas-Phase Acidities of the Alkanes,
J. Am. Chem. Soc., 1984, 106, 4051. [all data]
Holm, 1974
Holm, T.,
J. Organometal. Chem., 1974, 77, 27. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]
Liebman, Martinho Simões, et al., 1995
Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W.,
In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]
Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M.,
J. Am. Chem. Soc., 1990, 112, 2530. [all data]
Ishikawa, Brown, et al., 1988
Ishikawa, Y.; Brown, C.E.; Hackett, P.A.; Rayner, D.M.,
Chem. Phys. Lett., 1988, 150, 506. [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]
Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D.,
Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane,
Trans. Faraday Soc., 1967, 63, 1608-1611. [all data]
Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes,
J. Am. Chem. Soc., 1939, 61, 1868-1876. [all data]
Carson, Hartley, et al., 1949
Carson, A.S.; Hartley, K.; Skinner, H.A.,
Thermochemistry of metal alkyls. Part II.?The bond dissociation energies of some Zn?C and Cd?C bonds, and of Et?I.,
Trans. Faraday Soc., 1949, 45, 1159, https://doi.org/10.1039/tf9494501159
. [all data]
Kistiakowsky and Nickle, 1951
Kistiakowsky, G.B.; Nickle, A.G.,
Ethane-ethylene and propane-propylene equilibria,
Faraday Discuss. Chem. Soc., 1951, 10, 175-187. [all data]
Kistiakowsky, Romeyn, et al., 1935
Kistiakowsky, G.B.; Romeyn, H., Jr.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of organic reactions. I. The apparatus and the heat of hydrogenation of ethylene,
J. Am. Chem. Soc., 1935, 57, 65-75. [all data]
Shaulov and Shmyreva, 1968
Shaulov, Yu.Kh.; Shmyreva, G.O.,
Russ. J. Phys. Chem., 1968, 42, 1008. [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]
Lacher, Emery, et al., 1956
Lacher, J.R.; Emery, E.; Bohmfalk, E.; Park, J.D.,
Reaction heats of organic compounds. IV. A high temperature calorimeter and the hydrogenation of methyl ethyl and vinyl chlorides,
J. Phys. Chem., 1956, 60, 492-495. [all data]
Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Oetting, F.; Park, J.D.,
Reaction calorimetry. The hydrogenation of organic fluorides and chlorides,
Trans. Faraday Soc., 1956, 52, 1500-1508. [all data]
Holm, 1981
Holm, T.,
J. Chem. Soc., Perkin Trans. II, 1981, 464.. [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]
Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Montgomery, P.; Knedler, H.; Park, J.D.,
Reaction heats of organic halogen compounds. IX. The catalytic hydrogenation of vinyl and perfluorovinyl bromide,
J. Phys. Chem., 1957, 61, 1125-1126. [all data]
Ashcroft, Carson, et al., 1965
Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G.,
Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide,
Trans. Faraday Soc., 1965, 61, 225-229. [all data]
Fowell, Lacher, et al., 1965
Fowell, P.; Lacher, J.R.; Park, J.D.,
Reaction heats of organic compounds. Part 3.-Heats of hydrogenation of methyl bromide and ethyl bromide,
Trans. Faraday Soc., 1965, 61, 1324-1327. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction 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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