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:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • 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 calorie-based units

Data at NIST subscription sites:

• 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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Gas phase 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase 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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Phase change 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    T_r = reduced temperature (T / T_c)

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Entropy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

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)

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering 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

Ion clustering 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:
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)

C₂H₄⁺ +  = (C₂H₄⁺ • )

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

( • ) +  = ( •  • )

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

Enthalpy of reaction

 +  = ( • )

By formula: Co⁺ + C₂H₆ = (Co⁺ • C₂H₆)

Enthalpy of reaction

( • 2) +  = ( • 3)

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

 +  = ( • )

By formula: Fe⁺ + C₂H₆ = (Fe⁺ • C₂H₆)

Enthalpy of reaction

 +  = ( • )

By formula: Ni⁺ + C₂H₆ = (Ni⁺ • C₂H₆)

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, 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 by: Takehiko Shimanouchi

Symmetry:   D_3d     Symmetry Number σ = 6

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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.

Manion, 2002
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Reid, 1972
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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
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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
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Stockbauer and Inghram, 1971
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Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Cp,gas	Constant pressure heat capacity of gas
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  Ptriple	Triple point pressure
  S°liquid	Entropy of liquid at standard conditions
  T	Temperature
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Vc	Critical volume
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔcH°gas	Enthalpy of combustion of gas at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions
  ΔvapS	Entropy of vaporization
  ρc	Critical density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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