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

Phase change data

Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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:
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

Quantity Value Units Method Reference Comment
Tboil273. ± 1.KAVGN/AAverage of 33 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus136. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple134.6 ± 0.7KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ptriple0.000007barN/AYounglove and Ely, 1987Uncertainty assigned by TRC = 8.×10-9 bar; TRC
Ptriple0.000007barN/AHaynes and Goodwin, 1982TRC
Quantity Value Units Method Reference Comment
Tc425. ± 1.KAVGN/AAverage of 18 values; Individual data points
Quantity Value Units Method Reference Comment
Pc38.0 ± 0.1barAVGN/AAverage of 15 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.255l/molN/AAmbrose and Tsonopoulos, 1995 
Vc0.263l/molN/ALi and Kiran, 1988Uncertainty assigned by TRC = 0.01 l/mol; TRC
Vc0.2551l/molN/AYounglove and Ely, 1987Uncertainty assigned by TRC = 0.001 l/mol; TRC
Vc0.258l/molN/ABeattie, Simard, et al., 1939Uncertainty assigned by TRC = 0.003 l/mol; from graphical plot of isotherms; TRC
Quantity Value Units Method Reference Comment
ρc3.92 ± 0.03mol/lAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap22.4kJ/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
22.389272.05N/AAston and Messerly, 1940P = 101.325 kPa; DH
22.44272.7N/AMajer and Svoboda, 1985 
22.9308.N/ASako, Horiguchi, et al., 1997Based on data from 300. to 315. K.; AC
23.4277.AStephenson and Malanowski, 1987Based on data from 195. to 292. K.; AC
23.2288.AStephenson and Malanowski, 1987Based on data from 273. to 321. K.; AC
22.6331.AStephenson and Malanowski, 1987Based on data from 316. to 383. K.; AC
22.8390.AStephenson and Malanowski, 1987Based on data from 375. to 425. K.; AC
27.198.AStephenson and Malanowski, 1987Based on data from 135. to 213. K. See also Carruth and Kobayashi, 1973.; AC
23.1264.N/AWackher, Linn, et al., 1945Based on data from 206. to 279. K. See also Boublik, Fried, et al., 1984.; AC
21.0 ± 0.08272.66VAston and Messerly, 1940, 2Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 22.39 ± 0.63 kJ/mol; hfusion=1.11 kcal/mol; ALS
23.9258.N/AAston and Messerly, 1940Based on data from 195. to 273. K. See also Boublik, Fried, et al., 1984.; AC

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
82.30272.05Aston and Messerly, 1940P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
135.42 to 212.894.708121200.475-13.013Carruth and Kobayashi, 1973Coefficents calculated by NIST from author's data.
272.66 to 425.4.355761175.581-2.071Das, Reed, et al., 1973Coefficents calculated by NIST from author's data.
195.11 to 272.813.85002909.65-36.146Aston and Messerly, 1940Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
35.9107.BGeiseler, Quitzsch, et al., 1966AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
4.66134.9Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
19.06107.6Domalski and Hearing, 1996CAL
34.56134.9

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.067107.55crystaline, IIcrystaline, IAston and Messerly, 1940DH
4.661134.86crystaline, IliquidAston and Messerly, 1940DH
2.117107.0crystaline, IIcrystaline, IHuffman, Parks, et al., 1931DH
4.372134.1crystaline, IliquidHuffman, Parks, et al., 1931DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
19.22107.55crystaline, IIcrystaline, IAston and Messerly, 1940DH
34.56134.86crystaline, IliquidAston and Messerly, 1940DH
19.8107.0crystaline, IIcrystaline, IHuffman, Parks, et al., 1931DH
32.6134.1crystaline, IliquidHuffman, Parks, et al., 1931DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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on behalf of the United States of America. All rights reserved.
NIST MS number 18940

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, 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]

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
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Li and Kiran, 1988
Li, L.; Kiran, E., Gas-Liquid Critical Properties of Methylamine + Nitrous Oxide and Methylamine + Ethylene Binary Mixtures, J. Chem. Eng. Data, 1988, 33, 342. [all data]

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]

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]

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]

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

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References