Ethane - The NIST WebBook

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 View 3d structure (requires JavaScript / HTML 5)
• 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
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • 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
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Reaction thermochemistry data

Go To: Top, 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°	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+ • 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

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

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

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-647.3 ± 6.3	kJ/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- + =

By formula: C2H5- + H+ = C2H6

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	1758. ± 8.4	kJ/mol	Bran	DePuy, Gronert, et al., 1989	gas phase; B
ΔrH°	1761. ± 8.4	kJ/mol	Bran	DePuy, Bierbaum, et al., 1984	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	1723. ± 8.8	kJ/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°	110.	J/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; ΔrS(490 K); M

Enthalpy of reaction

ΔrH° (kJ/mol)	T (K)	Method	Reference	Comment
102. (+4.6,-0.)	SIDT	Kemper, Bushnell, et al., 1993	gas phase; ΔrS(490 K); M

(g) + (cr) = (g) + (cr)

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

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-345.7 ± 2.0	kJ/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

C5O5W (g) + (g) = C7H6O5W (g)

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

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-31.0 ± 8.4	kJ/mol	EqG	Brown, Ishikawa, et al., 1990	Temperature range: ca. 300-350 K; MS
ΔrH°	-41. ± 13.	kJ/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°	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

+ 2 = + 2

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

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-143.0 ± 0.96	kJ/mol	Chyd	Lacher, Amador, et al., 1967	gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -147.77 ± 0.50 kJ/mol; At 250 C; ALS

2 + = + 2

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

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-140.8 ± 1.0	kJ/mol	Chyd	Lacher, Amador, et al., 1967	gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -145.0 ± 0.50 kJ/mol; At 250C; ALS

2 + =

By formula: 2H2 + C2H2 = C2H6

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-312.0 ± 0.63	kJ/mol	Chyd	Conn, Kistiakowsky, et al., 1939	gas phase; Reanalyzed by Cox and Pilcher, 1970, 2, Original value = -314.1 ± 2.8 kJ/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°	-354.4 ± 4.2	kJ/mol	RSC	Carson, Hartley, et al., 1949	Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS

+ =

By formula: H2 + C2H4 = C2H6

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-136. ± 2.	kJ/mol	Chyd	Kistiakowsky and Nickle, 1951	gas phase; ALS
ΔrH°	-136.3 ± 0.3	kJ/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°	-265.0 ± 3.3	kJ/mol	RSC	Shaulov and Shmyreva, 1968	The reaction enthalpy was derived from data in Shaulov and Shmyreva, 1968.; MS

C2H4+ + = (C2H4+ • )

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

2 + = +

By formula: 2H2 + C2H3Cl = C2H6 + HCl

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-214.2 ± 0.8	kJ/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°	-299.2 ± 2.2	kJ/mol	RSC	Holm, 1981	solvent: Diethyl ether; MS

( • 2) + = ( • 3)

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: 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

2 + = +

By formula: 2H2 + C2H3Br = HBr + C2H6

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-199.2 ± 1.9	kJ/mol	Chyd	Lacher, Kianpour, et al., 1957	gas phase; ALS

+ 2 = 2 +

By formula: H2 + 2C2H5I = 2C2H6 + I2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-88.7 ± 3.3	kJ/mol	Chyd	Ashcroft, Carson, et al., 1965	liquid phase; ALS

+ = +

By formula: H2 + C2H5Br = HBr + C2H6

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-59.0 ± 1.1	kJ/mol	Chyd	Fowell, Lacher, et al., 1965	gas phase; ALS

+ 2 = 2 +

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

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	23. ± 13.	kJ/mol	Chyd	Ashcroft, Carson, et al., 1965	liquid phase; ALS

+ = +

By formula: H2 + C2H5Cl = C2H6 + HCl

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-69.3 ± 0.4	kJ/mol	Chyd	Lacher, Emery, et al., 1956	gas phase; ALS

+ = ( • )

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, Reaction thermochemistry data, 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, 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

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