Butane

• Formula: C₄H₁₀
• Molecular weight: 58.1222
• IUPAC Standard InChI: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: IJDNQMDRQITEOD-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-97-8
• 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.
• Other names: n-Butane; Diethyl; Freon 600; Liquefied petroleum gas; LPG; n-C4H10; Butanen; Butani; Methylethylmethane; UN 1011; A 21; HC 600; HC 600 (hydrocarbon); R 600; R 600 (alkane)
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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:
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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Enthalpy of vaporization

Entropy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    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:
B - John E. Bartmess
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C₄H₉^- +  =

By formula: C₄H₉^- + H⁺ = C₄H₁₀

C₄H₉Li (l) +  (g) =  (l) +  (cr)

By formula: C₄H₉Li (l) + HBr (g) = C₄H₁₀ (l) + BrLi (cr)

 (g) + C₄H₉Li (l) =  (l) +  (cr)

By formula: HBr (g) + C₄H₉Li (l) = C₄H₁₀ (l) + BrLi (cr)

2 +  =

By formula: 2H₂ + C₄H₆ = C₄H₁₀

 +  =

By formula: H₂ + C₄H₈ = C₄H₁₀

 +  =

By formula: H₂ + C₄H₈ = C₄H₁₀

 + 2 =

By formula: C₄H₆ + 2H₂ = C₄H₁₀

C₄H₉Li (l) +  (g) =  (g) + HLiO (cr)

By formula: C₄H₉Li (l) + H₂O (g) = C₄H₁₀ (g) + HLiO (cr)

C₄H₉ClMg (cr) + ( • 556) (solution) =  (g) + (Cl₂Mg • 900) (solution)

By formula: C₄H₉ClMg (cr) + (HCl • 556H₂O) (solution) = C₄H₁₀ (g) + (Cl₂Mg • 900H₂O) (solution)

C₄H₉BrMg (solution) +  (g) =  (solution) + Br₂Mg (solution)

By formula: C₄H₉BrMg (solution) + HBr (g) = C₄H₁₀ (solution) + Br₂Mg (solution)

C₄H₉BrMg (solution) +  (g) =  (solution) + Br₂Mg (solution)

By formula: C₄H₉BrMg (solution) + HBr (g) = C₄H₁₀ (solution) + Br₂Mg (solution)

C₅O₅W (g) +  (g) = C₉H₁₀O₅W (g)

By formula: C₅O₅W (g) + C₄H₁₀ (g) = C₉H₁₀O₅W (g)

 +  =

By formula: C₄H₈ + H₂ = C₄H₁₀

=

By formula: C₄H₁₀ = C₄H₁₀

3 +  =

By formula: 3H₂ + C₄H₄ = C₄H₁₀

Gas phase ion energetics 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 evaluated as indicated in comments:
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

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₄H₉^- +  =

By formula: C₄H₉^- + H⁺ = C₄H₁₀

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg) NOTE: High partial pressure may produce unreliable values in the range of 2600 to 3400 cm-1; see scan of original spectrum.; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

• gas; IFS66V (Bruker); 3-Term B-H Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Boxcar Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Happ Genzel Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); NB Strong Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Triangular Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Trans form     Symmetry:   C_2h     Symmetry Number σ = 2

Source: Shimanouchi, 1972

Gauche form     Symmetry:   C₂     Symmetry Number σ = 2

Source: Shimanouchi, 1972

Notes

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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.

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, Maron, et al., 1951
Prosen, E.J.; Maron, F.W.; Rossini, F.D., Heats of combustion, formation, and insomerization of ten C₄ hydrocarbons, J. Res. NBS, 1951, 46, 106-112. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of formation and combustion of 1,3-butadiene and styrene, J. Res. NBS, 1945, 34, 59-63. [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]

Chen S.S., 1975
Chen S.S., Ideal gas thermodynamic properties and isomerization of n-butane and isobutane, J. Phys. Chem. Ref. Data, 1975, 4, 859-869. [all data]

Pitzer K.S., 1944
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Dailey B.P., 1943
Dailey B.P., Heat capacities and hindered rotation in n-butane and isobutane, J. Am. Chem. Soc., 1943, 65, 44-46. [all data]

Sage B.H., 1937
Sage B.H., Phase equilibria in hydrocarbon systems. XX. Isobaric heat capacity of gaseous propane, n-butane, isobutane, and n-pentane, Ind. Eng. Chem., 1937, 29, 1309-1314. [all data]

Aston and Messerly, 1940
Aston, J.G.; Messerly, G.H., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of n-butane, J. Am. Chem. Soc., 1940, 62, 1917-1923. [all data]

Parks, Shomate, et al., 1937
Parks, G.S.; Shomate, C.H.; Kennedy, W.D.; Crawford, B.L., Jr., The entropies of n-butane and isobutane, with some heat capacity data for isobutane, J. Chem. Phys., 1937, 5, 359-363. [all data]

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Younglove and Ely, 1987
Younglove, B.A.; Ely, J.F., Thermophysical Properties of Fluids II. Methane, Ethane, Propane, Isobutane, and Normal Butane, J. Phys. Chem. Ref. Data, 1987, 16, 577. [all data]

Haynes and Goodwin, 1982
Haynes, W.M.; Goodwin, R.D., Thermopnhysical properties of normal butane from 135 to 700K at pressures to 70 MPa, NBS Monogr. (U. S.), 1982, 1982, 197 pp.. [all data]

Ambrose and Tsonopoulos, 1995
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Li and Kiran, 1988
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Beattie, Simard, et al., 1939
Beattie, J.A.; Simard, G.L.; Su, G.-J., The Vapor Pressure of Critical Constants of Normal Butane, J. Am. Chem. Soc., 1939, 61, 24. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Sako, Horiguchi, et al., 1997
Sako, Takeshi; Horiguchi, Sadashige; Ichimaru, Hiroshi; Nakagawa, Shinsuke, Vapor Pressure of Chlorine Trifluoride from 300 K to 317 K, J. Chem. Eng. Data, 1997, 42, 1, 169-171, https://doi.org/10.1021/je960286g . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Carruth and Kobayashi, 1973
Carruth, Grant F.; Kobayashi, Riki, Vapor pressure of normal paraffins ethane through n-decane from their triple points to about 10 mm mercury, J. Chem. Eng. Data, 1973, 18, 2, 115-126, https://doi.org/10.1021/je60057a009 . [all data]

Wackher, Linn, et al., 1945
Wackher, Richard C.; Linn, Carl B.; Grosse, Aristid V., Physical Properties of Butanes and Butenes., Ind. Eng. Chem., 1945, 37, 5, 464-468, https://doi.org/10.1021/ie50425a023 . [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Aston and Messerly, 1940, 2
Aston, J.G.; Messerly, G.H., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of n-butane, J. Am. Chem. Soc., 1940, 62, 1917-19. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Das, Reed, et al., 1973
Das, T.R.; Reed, C.O., Jr.; Eubank, P.T., PVT Surface and Thermodynamic Properties of n-Butane, J. Chem. Eng. Data, 1973, 18, 3, 244-253, https://doi.org/10.1021/je60058a002 . [all data]

Geiseler, Quitzsch, et al., 1966
Geiseler, V.G.; Quitzsch, K.; Rauh, H.J.; Schaffernicht, H.; Walther, H.J., Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen 1. Mitteilung: Bildungsenthalpien und Mesomerieenergien einiger mehrkerniger Aromaten und verschiedener Pseudoazulene, Ber. Bunsen-Ges. Phys. Chem., 1966, 70, 551-556. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [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]

Seetula, Russell, et al., 1990
Seetula, J.A.; Russell, J.J.; Gutman, D., Kinetics and Thermochemistry of the Reactions of Alkyl Radicals with HI: A Reconciliation of the Alkyl Radical Heats of Formation, J. Am. Chem. Soc., 1990, 112, 4, 1347, https://doi.org/10.1021/ja00160a009 . [all data]

Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M., Stabilization of Cycloalkyl Carbanions in the Gas Phase, Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608 . [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]

Conn, Kistiakowsky, et al., 1939
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Cox and Pilcher, 1970
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Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons, J. Am. Chem. Soc., 1935, 57, 876-882. [all data]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene, J. Am. Chem. Soc., 1936, 58, 146-153. [all data]

Fowell and Mortimer, 1961
Fowell, P.A.; Mortimer, C.T., J. Chem. Soc., 1961, 3793.. [all data]

Cox and Pilcher, 1970, 2
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Genchel, Evstigneeva, et al., 1976
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Holm, 1981
Holm, T., J. Chem. Soc., Perkin Trans. II, 1981, 464.. [all data]

Brown, Ishikawa, et al., 1990
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Pines, Kvetinskas, et al., 1945
Pines, H.; Kvetinskas, B.; Kassel, L.S.; Ipatieff, V.N., Determination of equilibrium constants for butanes and pentanes, J. Am. Chem. Soc., 1945, 67, 631-637. [all data]

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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]

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Omura, 1961
Omura, I., Mass spectra at low ionizing voltage and bond dissociation energies of molecular ions from hydrocarbons, Bull. Chem. Soc. Japan, 1961, 34, 1227. [all data]

Wolkoff and Holmes, 1978
Wolkoff, P.; Holmes, J.L., Fragmentations of alkane molecular ions, J. Am. Chem. Soc., 1978, 100, 7346. [all data]

Williams and Hamill, 1968
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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
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References

• 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
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Vc	Critical volume
  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
  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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