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Octane

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Gas phase thermochemistry data

Go To: Top, 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:
DRB - Donald R. Burgess, Jr.
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-49.88kcal/molN/AGood, 1972Value computed using «DELTA»fHliquid° value of -250.3±1.8 kj/mol from Good, 1972 and «DELTA»vapH° value of 41.6 kj/mol from Prosen and Rossini, 1945.; DRB
Deltafgas-49.82 ± 0.16kcal/molCcbProsen and Rossini, 1945see Prosen and Rossini, 1944; ALS
Quantity Value Units Method Reference Comment
gas111.63 ± 0.22cal/mol*KN/AScott D.W., 1974This reference does not contain the original experimental data. Experimental entropy value is based on the results [ Messerly J.F., 1967] for S(liquid).; GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
55.63 ± 0.11385.65Hossenlopp I.A., 1981Please also see Barrow G.M., 1951.; GT
57.11 ± 0.11398.15
58.000405.7
59.89 ± 0.12423.15
62.86 ± 0.13448.15
64.699462.5
65.69 ± 0.13473.15
68.35 ± 0.14498.15
70.600522.7
70.98 ± 0.14523.15

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
34.601200.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
41.991273.15
44.88 ± 0.1298.15
45.100300.
57.299400.
68.549500.
78.100600.
86.099700.
92.801800.
98.401900.
103.101000.
107.201100.
110.701200.
114.001300.
117.001400.
119.001500.

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
Deltafliquid-59.82 ± 0.42kcal/molCcbGood, 1972ALS
Deltafliquid-59.74 ± 0.20kcal/molCcbProsen and Rossini, 1945see Prosen and Rossini, 1944; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1300. ± 30.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
liquid86.329cal/mol*KN/AFinke, Gross, et al., 1954DH
liquid85.99cal/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 75.73 J/mol*K.; DH
liquid85.99cal/mol*KN/AParks, Huffman, et al., 1930Extrapolation below 90 K, 77.19 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
60.87299.Czarnota, 1993DH
62.667318.15Banipal, Garg, et al., 1991T = 318 to 373 K. p = 0.1 MPa.; DH
61.109298.15Trejo, Costas, et al., 1991DH
61.109298.15Andreoli-Ball, Patterson, et al., 1988DH
61.109298.15Perez-Casas, Aicart, et al., 1988DH
60.734298.15Benson and D'Arcy, 1986DH
61.109298.15Tardajos, Aicart, et al., 1986DH
60.750298.15Lainez, Grolier, et al., 1985DH
60.641298.15Lainez, Rodrigo, et al., 1985DH
60.33297.54Grigor'ev and Andolenko, 1984T = 297 to 410 K. Unsmoothed experimental datum given as 2.210 KJ/kg*K.; DH
60.712298.15Roux, Grolier, et al., 1984DH
60.33298.Zaripov, 1982T = 298, 323, 363 K.; DH
60.724298.15Grolier, Inglese, et al., 1981DH
60.449298.15Shakirov and Lyubarskii, 1980T = 65 to 300 K.; DH
60.52298.Grigor'ev, Rastorguev, et al., 1975T = 305 to 463 K.; DH
60.741298.15Finke, Gross, et al., 1954T = 12 to 300 K.; DH
60.691299.8Connolly, Sage, et al., 1951T = 80 to 200 F.; DH
60.681298.15Osborne and Ginnings, 1947T = 293 to 318 K.; DH
60.11298.3Huffman, Parks, et al., 1931T = 92 to 298 K. Value is unsmoothed experimental datum.; DH
59.20293.7Parks, Huffman, et al., 1930T = 85 to 294 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, 1972
Good, W.D., The enthalpies of combustion and formation of n-octane and 2,2,3,3-tetramethylbutane, J. Chem. Thermodyn., 1972, 4, 709-714. [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]

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]

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]

Messerly J.F., 1967
Messerly J.F., Low-temperature thermal data for n-pentane, n-heptadecane, and n-octadecane. Revised thermodynamic functions for the n-alkanes, C5-C18, J. Chem. Eng. Data, 1967, 12, 338-346. [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]

Barrow G.M., 1951
Barrow G.M., Experimental vapor heat capacities and heats of vaporization of seven octanes, J. Am. Chem. Soc., 1951, 73, 1824-1826. [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]

Finke, Gross, et al., 1954
Finke, H.L.; Gross, M.E.; Waddington, G.; Huffman, H.M., Low-temperature thermal data for the nine normal paraffin hydrocarbons from octane to hexadecane, J. Am. Chem. Soc., 1954, 76, 333-341. [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]

Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]

Czarnota, 1993
Czarnota, I., Heat capacity of octane at high pressures, J. Chem. Thermodynam., 1993, 25, 355-359. [all data]

Banipal, Garg, et al., 1991
Banipal, T.S.; Garg, S.K.; Ahluwalia, J.C., Heat capacities and densities of liquid n-octane, n-nonane, n-decane, and n-hexadecane at temperatures from 318.15 to 373.15 K and at pressures up to 10 MPa, J. Chem. Thermodynam., 1991, 23, 923-931. [all data]

Trejo, Costas, et al., 1991
Trejo, L.M.; Costas, M.; Patterson, D., Excess heat capacity of organic mixtures, Internat. DATA Series, Selected Data Mixt., 1991, Ser. [all data]

Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M., Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc., Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]

Perez-Casas, Aicart, et al., 1988
Perez-Casas, S.; Aicart, E.; Trojo, L.M.; Costas, M., Excess heat capacity. Chlorobenzene-2,2,4,4,6,8,8-heptamethylnonane, Int. Data Ser., Sel. Data Mixtures, 1988, (2)A, 123. [all data]

Benson and D'Arcy, 1986
Benson, G.C.; D'Arcy, P.J., Heat capacities of binary mixtures of n-octane with each of the hexane isomers at 298.15 K, Can. J. Chem., 1986, 64, 2139-2141. [all data]

Tardajos, Aicart, et al., 1986
Tardajos, G.; Aicart, E.; Costas, M.; Patterson, D., Liquid structure and second-order mixing functions for benzene, toluene, and p-xylene with n-alkanes, J. Chem. Soc., Faraday Trans., 1986, 1 82, 2977-2987. [all data]

Lainez, Grolier, et al., 1985
Lainez, A.; Grolier, J.-P.E.; Wilhelm, E., Excess molar heat capacity and excess molar volume of 1,6-dichlorohexane + n-octane, Thermochim. Acta, 1985, 91, 243-248. [all data]

Lainez, Rodrigo, et al., 1985
Lainez, A.; Rodrigo, M.; Roux, A.H.; Grolier, J.-P.E.; Wilhelm, E., Relations between structure and thermodynamic properties. Heat capacities of polar substances (nitrobenzene and benzonitrile) in alkane solutions, Calorim. Anal. Therm., 1985, 16, 153-158. [all data]

Grigor'ev and Andolenko, 1984
Grigor'ev, B.A.; Andolenko, R.A., Investigation of the isobaric heat capacity of n-paraffinic hydrocarbons at atmospheric pressure, Izv. Vyssh. Ucheb. Zaved., Neft i Gaz, 1984, (2), 60-62. [all data]

Roux, Grolier, et al., 1984
Roux, A.H.; Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess molar enthalpies, excess molar heat capacities and excess molar volumes of (fluorobenzene + an n-alkane), Ber. Bunsenges. Phys. Chem., 1984, 88, 986-992. [all data]

Zaripov, 1982
Zaripov, Z.I., Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [all data]

Grolier, Inglese, et al., 1981
Grolier, J.P.E.; Inglese, A.; Roux, A.H.; Wilhelm, E., Thermodynamics of (1-chloronaphthalene + n-alkane): excess enthalpies, excess volumes and excess heat capacities, Ber. Bunsenges. Phys. Chem., 1981, 85, 768-772. [all data]

Shakirov and Lyubarskii, 1980
Shakirov, R.F.; Lyubarskii, M.V., Low-temperature heat capacity and thermodynamic functions of methyl trichlorothioacrylate, SPSTL Deposited Publication 3 KhP-D80, 1980, 19p. [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]

Connolly, Sage, et al., 1951
Connolly, T.J.; Sage, B.H.; Lacey, W.N., Isobaric heat capacities at bubble point. n-Hexane, methylcyclopentane, and n-octane, Ind. Eng. Chem., 1951, 43, 946-950. [all data]

Osborne and Ginnings, 1947
Osborne, N.S.; Ginnings, D.C., Measurements of heat of vaporization and heat capacity of a number of hydrocarbons, J. Res. NBS, 1947, 39, 453-477. [all data]


Notes

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