Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Butane

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-125.6 ± 0.67kJ/molCcbPittam and Pilcher, 1972ALS
Deltafgas-127.1 ± 0.67kJ/molCmProsen, Maron, et al., 1951see Prosen and Rossini, 1945; ALS
Quantity Value Units Method Reference Comment
Deltacgas-2877.5 ± 0.63kJ/molCcbPittam and Pilcher, 1972Corresponding «DELTA»fgas = -125.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-2876.2 ± 0.63kJ/molCmProsen, Maron, et al., 1951see Prosen and Rossini, 1945; Corresponding «DELTA»fgas = -127.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-2878.3 ± 0.63kJ/molCcbRossini, 1934Corresponding «DELTA»fgas = -124.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
38.0750.Chen S.S., 1975Recommended values are in good agreement with those calculated by [ Pitzer K.S., 1944, Pitzer K.S., 1946].; GT
55.35100.
67.32150.
76.44200.
92.30273.15
98.49298.15
98.95300.
124.77400.
148.66500.
169.28600.
187.02700.
202.38800.
215.73900.
227.361000.
237.481100.
246.271200.
253.931300.
260.581400.
266.401500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
110.58344.9Dailey B.P., 1943Other experimental values of heat capacity [ Sage B.H., 1937] are believed to be less reliable, see [ Chen S.S., 1975].; GT
114.93359.6
121.75387.5
137.99451.6
154.01521.0
162.26561.3
170.33600.8
185.85692.6

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid231.0J/mol*KN/AAston and Messerly, 1940Using extrapolated values of Cp 273 to 298 K for the superheated liquid.
liquid226.8J/mol*KN/AParks, Shomate, et al., 1937Calculated from heat capacity data reported by 31HUF/PAR. Extrapolation below 67 K, 41.34 J/mol*K.
liquid229.7J/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 48.95 J/mol*K. Extrapolated above 262 K.

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
132.42270.Aston and Messerly, 1940T = 11 to 270 K.
129.7261.8Huffman, Parks, et al., 1931T = 69 to 262 K. Value is unsmoothed experimental datum.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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 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- + Hydrogen cation = Butane

By formula: C4H9- + H+ = C4H10

Quantity Value Units Method Reference Comment
Deltar1739. ± 8.4kJ/molBranDePuy, Gronert, et al., 1989gas phase; The HOF(Et(Me)N.) in Seetula, Russell, et al., 1990 gives BDE(N-H) = 99 kcal/mol, ca. 5 kcal/mol too strong; B
Deltar1745. ± 20.kJ/molBranPeerboom, Rademaker, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Deltar1703. ± 8.8kJ/molH-TSDePuy, Gronert, et al., 1989gas phase; The HOF(Et(Me)N.) in Seetula, Russell, et al., 1990 gives BDE(N-H) = 99 kcal/mol, ca. 5 kcal/mol too strong; B
Deltar1709. ± 21.kJ/molH-TSPeerboom, Rademaker, et al., 1992gas phase; B

C4H9Li (l) + Hydrogen bromide (g) = Butane (l) + Lithium bromide (cr)

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

Quantity Value Units Method Reference Comment
Deltar-374.0 ± 2.0kJ/molRSCHolm, 1974Please 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

Hydrogen bromide (g) + C4H9Li (l) = Butane (l) + Lithium bromide (cr)

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

Quantity Value Units Method Reference Comment
Deltar-352.7 ± 2.0kJ/molRSCHolm, 1974Please 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

2Hydrogen + 2-Butyne = Butane

By formula: 2H2 + C4H6 = C4H10

Quantity Value Units Method Reference Comment
Deltar-272.4 ± 1.3kJ/molChydConn, Kistiakowsky, et al., 1939gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -274.4 ± 0.54 kJ/mol; At 355 K; ALS

Hydrogen + 2-Butene, (E)- = Butane

By formula: H2 + C4H8 = C4H10

Quantity Value Units Method Reference Comment
Deltar-114.6 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -115.57 ± 0.088 kJ/mol; At 355 °K; ALS

Hydrogen + 2-Butene, (Z)- = Butane

By formula: H2 + C4H8 = C4H10

Quantity Value Units Method Reference Comment
Deltar-118.5 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -119.54 ± 0.079 kJ/mol; At 355 °K; ALS

1,3-Butadiene + 2Hydrogen = Butane

By formula: C4H6 + 2H2 = C4H10

Quantity Value Units Method Reference Comment
Deltar-236.7 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -238.8 ± 0.4 kJ/mol; At 355 °K; ALS

C4H9Li (l) + Water (g) = Butane (g) + HLiO (cr)

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

Quantity Value Units Method Reference Comment
Deltar-240.2 ± 2.9kJ/molRSCFowell and Mortimer, 1961Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

C4H9ClMg (cr) + (Hydrogen chloride bullet 556Water) (solution) = Butane (g) + (Cl2Mg bullet 900Water) (solution)

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

Quantity Value Units Method Reference Comment
Deltar-305.8 ± 1.8kJ/molRSCGenchel, Evstigneeva, et al., 1976MS

C4H9BrMg (solution) + Hydrogen bromide (g) = Butane (solution) + Br2Mg (solution)

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

Quantity Value Units Method Reference Comment
Deltar-292.5 ± 2.2kJ/molRSCHolm, 1981solvent: Diethyl ether; MS

C4H9BrMg (solution) + Hydrogen bromide (g) = Butane (solution) + Br2Mg (solution)

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

Quantity Value Units Method Reference Comment
Deltar-305.9 ± 2.2kJ/molRSCHolm, 1981solvent: Diethyl ether; MS

C5O5W (g) + Butane (g) = C9H10O5W (g)

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

Quantity Value Units Method Reference Comment
Deltar-38. ± 13.kJ/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS

1-Butene + Hydrogen = Butane

By formula: C4H8 + H2 = C4H10

Quantity Value Units Method Reference Comment
Deltar-125.9 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1935gas phase; At 355 °K; ALS

Butane = Isobutane

By formula: C4H10 = C4H10

Quantity Value Units Method Reference Comment
Deltar-9.699kJ/molEqkPines, Kvetinskas, et al., 1945gas phase; Heat of isomerization; ALS

3Hydrogen + 1-Buten-3-yne = Butane

By formula: 3H2 + C4H4 = C4H10

Quantity Value Units Method Reference Comment
Deltar-422. ± 2.kJ/molChydRoth, Adamczak, et al., 1991liquid phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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
Pitzer K.S., Thermodynamics of gaseous paraffins. Specific heat and related properties, Ind. Eng. Chem., 1944, 36, 829-831. [all data]

Pitzer K.S., 1946
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

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]

Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M., Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons, J. Am. Chem. Soc., 1931, 53, 3876-3888. [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
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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Genchel, Evstigneeva, et al., 1976
Genchel, V.G.; Evstigneeva, E.V.; Petrova, N.V., Zh. Fiz. Khim., 1976, 50, 1909. [all data]

Holm, 1981
Holm, T., J. Chem. Soc., Perkin Trans. II, 1981, 464.. [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]

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]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References