Ethane

• Formula: C₂H₆
• Molecular weight: 30.0690
• IUPAC Standard InChI: InChI=1S/C2H6/c1-2/h1-2H3 Copy

  
• IUPAC Standard InChIKey: OTMSDBZUPAUEDD-UHFFFAOYSA-N Copy
• 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:
  • 1-Ethenyl-1-methyl-2,4-bis-(1-methylethenyl)-1S-1α,2β,4α-cyclohexane
• Isotopologues:
  • pentadeuteroethane
  • Ethane-d1
• Other names: Bimethyl; Dimethyl; Ethyl hydride; Methylmethane; C2H6; UN 1035; UN 1961
• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • Reference simulation
• Options:
  • Switch to SI units

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• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Reaction thermochemistry data

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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)

Enthalpy of reaction

( • ) +  = ( •  • )

By formula: (Co⁺ • CH₄) + C₂H₆ = (Co⁺ • C₂H₆ • CH₄)

Enthalpy of reaction

3 (g) +  (l) = AlH₃O₃ (amorphous) + 3 (g)

By formula: 3H₂O (g) + C₆H₁₅Al (l) = AlH₃O₃ (amorphous) + 3C₂H₆ (g)

C₂H₅^- +  =

By formula: C₂H₅^- + H⁺ = C₂H₆

( • ) +  = ( •  • )

By formula: (Co⁺ • C₂H₆) + CH₄ = (Co⁺ • CH₄ • C₂H₆)

Enthalpy of reaction

 (g) +  (cr) =  (g) +  (cr)

By formula: HBr (g) + C₂H₅Li (cr) = C₂H₆ (g) + BrLi (cr)

C₅O₅W (g) +  (g) = C₇H₆O₅W (g)

By formula: C₅O₅W (g) + C₂H₆ (g) = C₇H₆O₅W (g)

 +  = ( • )

By formula: Fe⁺ + C₂H₆ = (Fe⁺ • C₂H₆)

Enthalpy of reaction

 + 2 =  + 2

By formula: C₂H₄Cl₂ + 2H₂ = C₂H₆ + 2HCl

2 +  =  + 2

By formula: 2H₂ + C₂H₄Cl₂ = C₂H₆ + 2HCl

2 +  =

By formula: 2H₂ + C₂H₂ = C₂H₆

 (l) + ( • 100) (solution) = 2 (g) + ( • 100) (solution)

By formula: C₄H₁₀Zn (l) + (H₂O₄S • 100H₂O) (solution) = 2C₂H₆ (g) + (O₄SZn • 100H₂O) (solution)

 +  =

By formula: H₂ + C₂H₄ = C₂H₆

2 (g) +  (l) = AlCl₃ (cr) + 2 (g)

By formula: 2HCl (g) + C₄H₁₀AlCl (l) = AlCl₃ (cr) + 2C₂H₆ (g)

C₂H₄⁺ +  = (C₂H₄⁺ • )

By formula: C₂H₄⁺ + C₂H₆ = (C₂H₄⁺ • C₂H₆)

2 +  =  + 

By formula: 2H₂ + C₂H₃Cl = C₂H₆ + HCl

 (g) + C₂H₅BrMg (solution) =  (solution) + Br₂Mg (solution)

By formula: HBr (g) + C₂H₅BrMg (solution) = C₂H₆ (solution) + Br₂Mg (solution)

( • 2) +  = ( • 3)

By formula: (Co⁺ • 2C₂H₆) + C₂H₆ = (Co⁺ • 3C₂H₆)

 +  = ( • )

By formula: Al⁺ + C₂H₆ = (Al⁺ • C₂H₆)

2 +  =  + 

By formula: 2H₂ + C₂H₃Br = HBr + C₂H₆

 + 2 = 2 + 

By formula: H₂ + 2C₂H₅I = 2C₂H₆ + I₂

 +  =  + 

By formula: H₂ + C₂H₅Br = HBr + C₂H₆

 + 2 = 2 + 

By formula: H₂ + 2C₂H₅Br = 2C₂H₆ + Br₂

 +  =  + 

By formula: H₂ + C₂H₅Cl = C₂H₆ + HCl

 +  = ( • )

By formula: Ni⁺ + C₂H₆ = (Ni⁺ • C₂H₆)

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₂H₆⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₂H₅^- +  =

By formula: C₂H₅^- + H⁺ = C₂H₆

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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: Takehiko Shimanouchi

Symmetry:   D_3d     Symmetry Number σ = 6

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Au, Cooper, et al., 1993
Au, J.W.; Cooper, G.; Brion, C.E., The molecular and dissociative photoionization of ethane, propane, and n-butane: Absolute oscillator strengths (10-80 eV) and breakdown pathways, Chem. Phys., 1993, 173, 241. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Plessis and Marmet, 1987
Plessis, P.; Marmet, P., Electroionization study of ethane: structures in the ionization and appearance energy curves, Can. J. Chem., 1987, 65, 2004. [all data]

Plessis and Marmet, 1987, 2
Plessis, P.; Marmet, P., Electroionization study of ethane: Ionization and appearance energies, ion-pair formations and negative ions, Can. J. Chem., 1987, 65, 1424. [all data]

Chatham, Hils, et al., 1984
Chatham, H.; Hils, D.; Robertson, R.; Gallagher, A., Total and partial electron collisional ionization cross sections for CH₄, C₂H₆, SiH₄, and Si₂H₆, J. Chem. Phys., 1984, 81, 1770. [all data]

Suzuki and Maeda, 1977
Suzuki, I.H.; Maeda, K., Ionization efficiency curves of ethane by electron impact, Int. J. Mass Spectrom. Ion Phys., 1977, 24, 147. [all data]

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Stockbauer, R.; Inghram, M.G., Experimental relative Franck-Condon factors for the ionization of methane, ethane, and propane, J. Chem. Phys., 1971, 54, 2242. [all data]

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Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Cermak, 1968
Cermak, V., Penning ionization electron spectroscopy, Advan. Mass Spectrom., 1968, 4, 697. [all data]

Baker, Baker, et al., 1968
Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W., The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 285. [all data]

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Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Bieri and Asbrink, 1980
Bieri, G.; Asbrink, L., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 149. [all data]

Doucet, Sauvageau, et al., 1975
Doucet, J.; Sauvageau, P.; Sandorfy, C., Photoelectron far-ultraviolet absorption spectra of chlorofluoro derivatives of ethane, J. Chem. Phys., 1975, 62, 355. [all data]

Suzuki and Maeda, 1977, 2
Suzuki, I.H.; Maeda, K., Behavior of hydrogen atoms in the fragmentation of CH₃CD₃, Can. J. Chem., 1977, 55, 3124. [all data]

D'Or, Collin, et al., 1966
D'Or, L.; Collin, J.E.; Longree, J., Ionisation et dissociation de l'ethane sous l'impact electronique. Spectres de masse et phenomenes d'echange dans C₂H₆, C₂H₅D, CH₃CD₃ et C₂D₆, Bull. Classe Sci. Acad. Roy. Belg., 1966, 52, 518. [all data]

Bombach, Dannacher, et al., 1984
Bombach, R.; Dannacher, J.; Stadelmann, J.-P., The rate/energy functions for the competitive fragmentation processes of ethylene and ethane cations, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 217. [all data]

Chupka and Berkowitz, 1967
Chupka, W.A.; Berkowitz, J., Photoionization of ethane, propane, and n-butane with mass analysis, J. Chem. Phys., 1967, 47, 2921. [all data]

Traeger and McLoughlin, 1981
Traeger, J.C.; McLoughlin, R.G., Absolute heats of formation for gas phase cations, J. Am. Chem. Soc., 1981, 103, 3647. [all data]

Newton, Sciamanna, et al., 1970
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Fuchs, 1972
Fuchs, R., Die kinetische energie ionisierter molekulfragmente VII. H₃ ALS fragmention bei der elektronenstrossionisierung von kohlenwasserstoffen, Int. J. Mass Spectrom. Ion Processes, 1972, 8, 193. [all data]

Shimanouchi, 1972
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Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  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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