n-Hexane

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Condensed phase thermochemistry data

Go To: Top, 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 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-198.7 ± 0.67kJ/molCcbGood and Smith, 1969ALS
Δfliquid-198.8 ± 0.79kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcliquid-4163. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
liquid296.06J/mol*KN/ADouslin and Huffman, 1946DH
liquid289.5J/mol*KN/AStull, 1937Extrapolation below 91 K, 54.68 J/mol*K.; DH
liquid295.4J/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 64.02 J/mol*K.; DH
liquid297.5J/mol*KN/AParks, Huffman, et al., 1930Extrapolation below 90 K, 65.44 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
265.2298.15Pruzan, 1991DH
195.52298.15Ohnishi, Fujihara, et al., 1989DH
197.66298.15Andreoli-Ball, Patterson, et al., 1988DH
197.66298.15Perez-Casas, Aicart, et al., 1988DH
195.64298.15Saito and Tanaka, 1988DH
195.84298.15Benson and D'Arcy, 1986DH
203.0308.35Naziev, Bashirov, et al., 1986T = 308.35, 333.15. p = 0.1 MPa. Unsmoothed experimental datum given as 2.356 kJ/kg*K.; DH
197.66298.15Tardajos, Aicart, et al., 1986DH
194.96298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
195.80298.15Benson, D'Arcy, et al., 1984DH
195.33298.15Bravo, Pintos, et al., 1984DH
196.1297.32Grigor'ev and Andolenko, 1984T = 293 to 324 K. Unsmoothed experimental datum given as 2.276 kJ/kg*K.; DH
195.80298.15Aicart, Kumaran, et al., 1983DH
195.80298.15Benson, D'Arcy, et al., 1983DH
195.33298.15Wilhelm, Inglese, et al., 1982DH
195.1298.Zaripov, 1982T = 298, 323 K.; DH
195.76298.15Grolier, Inglese, et al., 1981DH
195.64297.316Kalinowska, Jedlinska, et al., 1980T = 185 to 300 K. Unsmoothed experimental datum.; DH
184.2300.Czarnota, 1979DH
196.2298.Grigor'ev, Rastorguev, et al., 1975T = 300 to 463 K.; DH
198.5298.15Diaz pena and Renuncio, 1974T = 298 to 325 K.; DH
196.10299.8Connolly, Sage, et al., 1951T = 80 to 200°F.; DH
194.97298.15Douslin and Huffman, 1946T = 13 to 300 K.; DH
186.2300.7Phillip, 1939DH
189.1298.1Stull, 1937T = 90 to 320 K. Hump about 262 K with abnormal curve to 320 K.; DH
193.3293.5Huffman, Parks, et al., 1931T = 140 to 294 K. Value is unsmoothed experimental datum.; DH
191.6295.1Parks, Huffman, et al., 1930T = 90 to 295 K. Value is unsmoothed experimental datum.; DH
194.1298.von Reis, 1881T = 290 to 363 K.; DH

Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
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
Tboil341.9 ± 0.3KAVGN/AAverage of 85 out of 100 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus178. ± 1.KAVGN/AAverage of 32 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple178.0 ± 0.5KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tc507.6 ± 0.5KAVGN/AAverage of 39 out of 44 values; Individual data points
Quantity Value Units Method Reference Comment
Pc30.2 ± 0.4barAVGN/AAverage of 24 out of 25 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.368l/molN/AAmbrose and Tsonopoulos, 1995 
Vc0.371l/molN/AZawisza, 1985Uncertainty assigned by TRC = 0.007 l/mol; TRC
Quantity Value Units Method Reference Comment
ρc2.71 ± 0.02mol/lAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Δvap31. ± 1.kJ/molAVGN/AAverage of 11 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
28.85341.9N/AMajer and Svoboda, 1985 
34.9253.AStephenson and Malanowski, 1987Based on data from 238. to 298. K.; AC
35.7244.AStephenson and Malanowski, 1987Based on data from 189. to 259. K.; AC
31.5313.AStephenson and Malanowski, 1987Based on data from 298. to 343. K.; AC
30.1356.AStephenson and Malanowski, 1987Based on data from 341. to 377. K.; AC
29.3389.AStephenson and Malanowski, 1987Based on data from 374. to 451. K.; AC
29.4460.AStephenson and Malanowski, 1987Based on data from 445. to 508. K.; AC
32.0301.A,MMStephenson and Malanowski, 1987Based on data from 286. to 343. K. See also Willingham, Taylor, et al., 1945.; AC
26.6373.CWormald and Yerlett, 1985AC
22.5423.CWormald and Yerlett, 1985AC
15.7473.CWormald and Yerlett, 1985AC
8.9498.CWormald and Yerlett, 1985AC
30.9313.N/AMichou-Saucet, Jose, et al., 1984Based on data from 298. to 338. K.; AC
30.7 ± 0.1313.CMajer, Svoboda, et al., 1979AC
29.5 ± 0.1333.CMajer, Svoboda, et al., 1979AC
28.2 ± 0.1353.CMajer, Svoboda, et al., 1979AC
31.6310.N/ALetcher and Marsicano, 1974Based on data from 300. to 321. K. See also Boublik, Fried, et al., 1984.; AC
32.5250.N/ACarruth and Kobayashi, 1973Based on data from 178. to 265. K.; AC
30.9 ± 0.1309.CWaddington and Douslin, 1947AC
29.8 ± 0.1328.CWaddington and Douslin, 1947AC
30.5 ± 0.2313.CLemons and Felsing, 1943AC
29.0 ± 0.2333.CLemons and Felsing, 1943AC
28.2 ± 0.2353.CLemons and Felsing, 1943AC

Enthalpy of vaporization

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

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Temperature (K) 298. to 444.
A (kJ/mol) 43.85
α -0.039
β 0.397
Tc (K) 507.4
ReferenceMajer and Svoboda, 1985

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
177.70 to 264.933.456041044.038-53.893Carruth and Kobayashi, 1973Coefficents calculated by NIST from author's data.
286.18 to 342.694.002661171.53-48.784Williamham, Taylor, et al., 1945 

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
50.8178.BBondi, 1963AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
13.079177.84Douslin and Huffman, 1946DH
13.08177.8Domalski and Hearing, 1996AC
12.343177.90Stull, 1937DH
13.033177.9Huffman, Parks, et al., 1931DH
12.581178.6Parks, Huffman, et al., 1930DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
73.54177.84Douslin and Huffman, 1946DH
69.38177.90Stull, 1937DH
73.3177.9Huffman, Parks, et al., 1931DH
70.44178.6Parks, Huffman, et al., 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:


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Good and Smith, 1969
Good, W.D.; Smith, N.K., Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane, J. Chem. Eng. Data, 1969, 14, 102-106. [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]

Douslin and Huffman, 1946
Douslin, D.R.; Huffman, H.M., Low-temperature thermal data on the five isometric hexanes, J. Am. Chem. Soc., 1946, 68, 1704-1708. [all data]

Stull, 1937
Stull, D.R., A semi-micro calorimeter for measuring heat capacities at low temperatures, J. Am. Chem. Soc., 1937, 59, 2726-2733. [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]

Pruzan, 1991
Pruzan, P., Thermophysical properties of liquid n-hexane at temperatures from 243 K to 473 K and at pressures to 500 MPa, J. Chem. Thermodynam., 1991, 23, 247-259. [all data]

Ohnishi, Fujihara, et al., 1989
Ohnishi, K.; Fujihara, I.; Murakami, S., Thermodynamic properties of decalins mixed with hexane isomers at 298.15K. 1. Excess enthalpies and excess isobaric heat capacities, Fluid Phase Equilib., 1989, 46, 59-72. [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]

Saito and Tanaka, 1988
Saito, A.; Tanaka, R., Excess volumes and heat capacities of binary mixtures formed from cyclohexane, hexane and heptane at 298.15 K, J. Chem. Thermodynam., 1988, 20, 859-865. [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]

Naziev, Bashirov, et al., 1986
Naziev, Ya.M.; Bashirov, M.M.; Badalov, Yu.A., Experimental study of isobaric specific heat of higher alcohols at high pressures, Inzh.-Fiz. Zhur., 1986, 51, 998-1004. [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]

Costas and Patterson, 1985
Costas, M.; Patterson, D., Self-association of alcohols in inert solvents, J. Chem. Soc., Faraday Trans. 1, 1985, 81, 635-654. [all data]

Benson, D'Arcy, et al., 1984
Benson, G.C.; D'Arcy, P.J.; Kumaran, M.K., Heat capacities of binary mixtures of n-heptane with hexane isomers, Thermochim. Acta, 1984, 75, 353-360. [all data]

Bravo, Pintos, et al., 1984
Bravo, R.; Pintos, M.; Baluja, M.C.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Excess volumes excess heat capacities of some mixtures: (an isomer of hexanol + an n-alkane) at 298.15 K, J. Chem. Thermodynam., 1984, 16, 73-79. [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]

Aicart, Kumaran, et al., 1983
Aicart, E.; Kumaran, M.K.; Halpin, C.J.; Benson, G.C., Ultrasonic speeds and isentropic compressibilities of 2-methylpentan-1-ol with hexane isomers at 298.15 K, J. Chem. Thermodynam., 1983, 15, 1189-1197. [all data]

Benson, D'Arcy, et al., 1983
Benson, G.C.; D'Arcy, P.J.; Sugamori, M.E., Heat capacities of binary mixtures of 1-hexanol with hexane isomers at 298.15 K, Thermochim. Acta, 1983, 71, 161-166. [all data]

Wilhelm, Inglese, et al., 1982
Wilhelm, E.; Inglese, A.; Quint, J.R.; Grolier, J.-P.E., Molar excess volumes and excess heat capacities of (1,2,4-trichlorobenzene + an alkane), J. Chem. Thermodynam., 1982, 14, 303-308. [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]

Kalinowska, Jedlinska, et al., 1980
Kalinowska, B.; Jedlinska, J.; Woycicki, W.; Stecki, J., Heat capacities of liquids at temperatures between 90 and 300 K and at atmospheric pressure. I. Method and apparatus, and the heat capacities of n-heptane, n-hexane, and n-propanol, J. Chem. Thermodynam., 1980, 12, 891-896. [all data]

Czarnota, 1979
Czarnota, I., Calorimetric system for measurement of specific heat capacity of liquids, Cp, at high pressures, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1979, 10, 763-772. [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]

Diaz pena and Renuncio, 1974
Diaz pena, M.D.; Renuncio, J.A.R., Construccion de un calorimetro adiabatico. Capacidad calorifica de mezclas n-hexano + n-hexadecano, An. Quim., 1974, 70, 113-120. [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]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [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]

Zawisza, 1985
Zawisza, A., High-pressure liquid-vapour equilibria, critical state, and p(Vm,T,x) to 44 8.15 K and 4.053 MPa for {xC6H14 + (1-x)CH3OH}., J. Chem. Thermodyn., 1985, 17, 941-947. [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]

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]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Wormald and Yerlett, 1985
Wormald, C.J.; Yerlett, T.K., A new enthalpy-increment calorimeter enthalpy increments for n-hexane, The Journal of Chemical Thermodynamics, 1985, 17, 12, 1171-1186, https://doi.org/10.1016/0021-9614(85)90044-8 . [all data]

Michou-Saucet, Jose, et al., 1984
Michou-Saucet, Marie-Annie; Jose, Jacques; Michou-Saucet, Christian; Merlin, J.C., Pressions de vapeur et enthalpies libres d'exces de systemes binaires: Hexamethylphosphorotriamide (HMPT) + n-hexane; n-heptane; n-octane: A 298,15 K; 303,15 K; 313,15 K; 323,15 K; 333,15 K, Thermochimica Acta, 1984, 75, 1-2, 85-106, https://doi.org/10.1016/0040-6031(84)85009-1 . [all data]

Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Hála, Slavoj; Pick, Jirí, Temperature dependence of heats of vaporization of saturated hydrocarbons C5-C8; Experimental data and an estimation method, Collect. Czech. Chem. Commun., 1979, 44, 3, 637-651, https://doi.org/10.1135/cccc19790637 . [all data]

Letcher and Marsicano, 1974
Letcher, T.M.; Marsicano, F., Vapour pressures and densities of some unsaturated C6 acyclic and cyclic hydrocarbons between 300 and 320 K, The Journal of Chemical Thermodynamics, 1974, 6, 5, 509-514, https://doi.org/10.1016/0021-9614(74)90013-5 . [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]

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]

Waddington and Douslin, 1947
Waddington, Guy; Douslin, Donald R., Experimental Vapor Heat Capacities and Heats of Vaporization of n-Hexane and 2,2-Dimethylbutane 1, J. Am. Chem. Soc., 1947, 69, 10, 2275-2279, https://doi.org/10.1021/ja01202a011 . [all data]

Lemons and Felsing, 1943
Lemons, Joe Fred; Felsing, W.A., The Heats of Vaporization of Some Hexanes 1, J. Am. Chem. Soc., 1943, 65, 1, 46-48, https://doi.org/10.1021/ja01241a015 . [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [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]

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]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, References