Pentane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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:
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-35.08 ± 0.14kcal/molCcbGood, 1970ALS
Δfgas-35.16 ± 0.24kcal/molCmPilcher and Chadwick, 1967ALS
Δfgas-35.00 ± 0.16kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcgas-844.99 ± 0.23kcal/molCmPilcher and Chadwick, 1967Corresponding Δfgas = -35.16 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-845.27 ± 0.21kcal/molCcbRossini, 1934Corresponding Δfgas = -34.88 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas83.13 ± 0.20cal/mol*KN/AMesserly G.H., 1940Scott [ Scott D.W., 1974] has calculated the value of S(298.15 K)=349.49(0.71) J/mol*K on the basis of data [ Messerly G.H., 1940].; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
28.697 ± 0.057298.15Kharin V.E., 1985Experimental data [ Sage B.H., 1937] are less accurate than selected ones. Please also see Hossenlopp I.A., 1981.; GT
30.554 ± 0.062323.15
32.481 ± 0.065348.15
34.405 ± 0.069373.15
36.310 ± 0.072398.15
38.162 ± 0.076423.15
40.002 ± 0.079448.15
40.179450.
41.766 ± 0.084473.15
43.494 ± 0.086498.15
43.592500.
45.191 ± 0.091523.15
46.836550.
50.007600.
53.043650.
55.664700.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
22.36200.Scott D.W., 1974, 2Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, Scott D.W., 1974, 2]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1944, Pitzer K.S., 1946].; GT
26.900273.15
28.69 ± 0.02298.15
28.829300.
36.460400.
43.640500.
49.900600.
55.301700.
59.900800.
63.800900.
67.2991000.
70.2011100.
72.8011200.
75.0001300.
77.0001400.
79.0011500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-41.47 ± 0.14kcal/molCcbGood, 1970ALS
Δfliquid-41.36 ± 0.16kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcliquid-838.68 ± 0.11kcal/molCcbGood, 1970Corresponding Δfliquid = -41.47 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-838.80 ± 0.14kcal/molCcbProsen and Rossini, 1945Corresponding Δfliquid = -41.35 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-838.71 ± 0.18kcal/molCcbProsen and Rossini, 1944Corresponding Δfliquid = -41.44 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid62.971cal/mol*KN/AMesserly, Guthrie, et al., 1967DH
liquid62.780cal/mol*KN/AMesserly and Kennedy, 1940DH
liquid62.00cal/mol*KN/AParks and Huffman, 1930Extrapolation below 90 K, 56.61 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
40.30298.Grigor'ev, Rastorguev, et al., 1975T = 300 to 463 K.; DH
39.959298.15Messerly, Guthrie, et al., 1967T = 12 to 300 K.; DH
40.151290.Messerly and Kennedy, 1940T = 12 to 290 K.; DH
39.01290.0Parks and Huffman, 1930T = 93 to 290 K. Value is unsmoothed experimental datum.; DH

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil309.2 ± 0.2KAVGN/AAverage of 81 out of 94 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus143.4 ± 0.7KAVGN/AAverage of 30 out of 31 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple143.46 ± 0.05KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc469.8 ± 0.5KAVGN/AAverage of 27 out of 31 values; Individual data points
Quantity Value Units Method Reference Comment
Pc33.1 ± 0.6atmAVGN/AAverage of 20 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.311l/molN/AAmbrose and Tsonopoulos, 1995 
Vc0.3098l/molN/AAftienjew and Zawisza, 1977Uncertainty assigned by TRC = 0.0003 l/mol; TRC
Vc0.295l/molN/ABeattie, Levine, et al., 1951Uncertainty assigned by TRC = 0.006 l/mol; TRC
Vc0.31482l/molN/ASage and Lacey, 1942Uncertainty assigned by TRC = 0.0031 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc3.22 ± 0.07mol/lAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap6.3 ± 0.2kcal/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.164309.2N/AMajer and Svoboda, 1985 
6.2620298.15N/AMesserly and Kennedy, 1940P = 68.68 kPa; DH
6.38323.N/APfohl, Riebesell, et al., 2002Based on data from 308. to 423. K.; AC
7.12238.AStephenson and Malanowski, 1987Based on data from 223. to 352. K.; AC
7.72208.AStephenson and Malanowski, 1987Based on data from 143. to 223. K.; AC
6.24365.AStephenson and Malanowski, 1987Based on data from 350. to 422. K.; AC
6.26433.AStephenson and Malanowski, 1987Based on data from 418. to 470. K.; AC
6.67284.EBStephenson and Malanowski, 1987Based on data from 269. to 341. K. See also Osborn and Douslin, 1974.; AC
6.09310.N/ADas, Reed, et al., 1977AC
5.5350.N/ADas, Reed, et al., 1977AC
4.71390.N/ADas, Reed, et al., 1977AC
3.61430.N/ADas, Reed, et al., 1977AC
2.0460.N/ADas, Reed, et al., 1977AC

Enthalpy of vaporization

ΔvapH = A exp(-αTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) 260. to 428.
A (kcal/mol) 8.846
α -0.1238
β 0.4121
Tc (K) 469.6
ReferenceMajer and Svoboda, 1985

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
21.00298.15Messerly and Kennedy, 1940P; DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
268.8 to 341.373.98351070.617-40.454Osborn and Douslin, 1974Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
10.0143.BBondi, 1963AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.008143.47Messerly, Guthrie, et al., 1967DH
2.0112143.46Messerly and Kennedy, 1940DH
2.0143.5Acree, 1991AC
2.002143.4Parks and Huffman, 1930DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
14.00143.47Messerly, Guthrie, et al., 1967DH
14.02143.46Messerly and Kennedy, 1940DH
13.96143.4Parks and Huffman, 1930DH

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:


IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291244

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Good, 1970
Good, W.D., The enthalpies of combustion and formation of the isomeric pentanes, J. Chem. Thermodyn., 1970, 2, 237-244. [all data]

Pilcher and Chadwick, 1967
Pilcher, G.; Chadwick, J.D.M., Measurements of heats of combustion by flame calorimetry. Part 4.-n-Pentane, isopentane, neopentane, Trans. Faraday Soc., 1967, 63, 2357-2361. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [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]

Messerly G.H., 1940
Messerly G.H., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of n-pentane, J. Am. Chem. Soc., 1940, 62, 2988-2991. [all data]

Scott D.W., 1974
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Kharin V.E., 1985
Kharin V.E., Isobaric heat capacity of n-pentane in the vapor phase, Izv. Vyssh. Ucheb. Zaved., Neft. Gaz, 1985, 28, 63-66. [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]

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of five alkane hydrocarbons, J. Chem. Thermodyn., 1981, 13, 415-421. [all data]

Scott D.W., 1974, 2
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [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]

Prosen and Rossini, 1944
Prosen, E.J.; Rossini, F.D., Heats of combustion of eight normal paraffin hydrocarbons in the liquid state, J. Res. NBS, 1944, 33, 255-272. [all data]

Messerly, Guthrie, et al., 1967
Messerly, J.F.; Guthrie, G.B.; Todd, S.S.; Finke, H.L., Low-temperature thermal data for n-pentane, n-heptadecane, and n-octadecane, J. Chem. Eng. Data, 1967, 12, 338-346. [all data]

Messerly and Kennedy, 1940
Messerly, G.H.; Kennedy, R.M., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of n-pentane, J. Am. Chem. Soc., 1940, 62, 2988-2991. [all data]

Parks and Huffman, 1930
Parks, G.S.; Huffman, H.M., Thermal data on organic compounds. IX. A study of the effect of unsaturation on the heat capacities, entropies and free energies of some hydrocarbons and other compounds, J. Am. Chem. Soc., 1930, 52, 4381-4391. [all data]

Grigor'ev, Rastorguev, et al., 1975
Grigor'ev, B.A.; Rastorguev, Yu.L.; Yanin, G.S., Experimental determination of the isobaric specific heat of n-alkanes, Iz. Vyssh. Uchebn. Zaved. Neft Gaz 18, 1975, No.10, 63-66. [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]

Aftienjew and Zawisza, 1977
Aftienjew, J.; Zawisza, A., High-Pressure Liquid Vapour-Equilibria, Critical State and p(V,T,x) Up to 501.15 K and 4.560 MPa for n-Pentane + n-Perfluoropentane, J. Chem. Thermodyn., 1977, 9, 2, 153-165, https://doi.org/10.1016/0021-9614(77)90081-7 . [all data]

Beattie, Levine, et al., 1951
Beattie, J.A.; Levine, S.W.; Douslin, D.R., The vapor pressure and critical constants of normal pentane, J. Am. Chem. Soc., 1951, 73, 4431. [all data]

Sage and Lacey, 1942
Sage, B.H.; Lacey, W.N., Phase equilibria in hydrocarbon systems. Thermodynamic properties of n- pentane., Ind. Eng. Chem., 1942, 34, 730-737. [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]

Pfohl, Riebesell, et al., 2002
Pfohl, Oliver; Riebesell, Christine; Dohrn, Ralf, Measurement and calculation of phase equilibria in the system n-pentane + poly(dimethylsiloxane) at 308.15--423.15 K, Fluid Phase Equilibria, 2002, 202, 2, 289-306, https://doi.org/10.1016/S0378-3812(02)00123-1 . [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]

Osborn and Douslin, 1974
Osborn, Ann G.; Douslin, Donald R., Vapor-pressure relations for 15 hydrocarbons, J. Chem. Eng. Data, 1974, 19, 2, 114-117, https://doi.org/10.1021/je60061a022 . [all data]

Das, Reed, et al., 1977
Das, Tarun R.; Reed, Charles O.; Eubank, Philip T., PVT surface and thermodynamic properties of n-pentane, J. Chem. Eng. Data, 1977, 22, 1, 3-9, https://doi.org/10.1021/je60072a014 . [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]


Notes

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