Pentane

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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-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, 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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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]


Notes

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