Butane

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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

Quantity Value Units Method Reference Comment
Δfgas-30.03 ± 0.16kcal/molCcbPittam and Pilcher, 1972ALS
Δfgas-30.37 ± 0.16kcal/molCmProsen, Maron, et al., 1951see Prosen and Rossini, 1945; ALS
Quantity Value Units Method Reference Comment
Δcgas-687.75 ± 0.15kcal/molCcbPittam and Pilcher, 1972Corresponding Δfgas = -30.03 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-687.42 ± 0.15kcal/molCmProsen, Maron, et al., 1951see Prosen and Rossini, 1945; Corresponding Δfgas = -30.36 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-687.94 ± 0.15kcal/molCcbRossini, 1934Corresponding Δfgas = -29.84 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
9.09950.Chen S.S., 1975Recommended values are in good agreement with those calculated by [ Pitzer K.S., 1944, Pitzer K.S., 1946].; GT
13.23100.
16.09150.
18.27200.
22.06273.15
23.54298.15
23.65300.
29.821400.
35.531500.
40.459600.
44.699700.
48.370800.
51.561900.
54.3401000.
56.7591100.
58.8601200.
60.6911300.
62.2801400.
63.6711500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
26.429344.9Dailey B.P., 1943Other experimental values of heat capacity [ Sage B.H., 1937] are believed to be less reliable, see [ Chen S.S., 1975].; GT
27.469359.6
29.099387.5
32.980451.6
36.809521.0
38.781561.3
40.710600.8
44.419692.6

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

Quantity Value Units Method Reference Comment
liquid55.21cal/mol*KN/AAston and Messerly, 1940Using extrapolated values of Cp 273 to 298 K for the superheated liquid.
liquid54.21cal/mol*KN/AParks, Shomate, et al., 1937Calculated from heat capacity data reported by 31HUF/PAR. Extrapolation below 67 K, 41.34 J/mol*K.
liquid54.90cal/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 (cal/mol*K) Temperature (K) Reference Comment
31.649270.Aston and Messerly, 1940T = 11 to 270 K.
31.00261.8Huffman, Parks, et al., 1931T = 69 to 262 K. Value is unsmoothed experimental datum.

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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

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


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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NIST MS number 18940

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]


Notes

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