n-Hexane

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Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-47.48 ± 0.16kcal/molCcbGood and Smith, 1969ALS
Δfliquid-47.52 ± 0.19kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcliquid-995. ± 4.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
liquid70.760cal/mol*KN/ADouslin and Huffman, 1946DH
liquid69.19cal/mol*KN/AStull, 1937Extrapolation below 91 K, 54.68 J/mol*K.; DH
liquid70.60cal/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 64.02 J/mol*K.; DH
liquid71.10cal/mol*KN/AParks, Huffman, et al., 1930Extrapolation below 90 K, 65.44 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
63.38298.15Pruzan, 1991DH
46.730298.15Ohnishi, Fujihara, et al., 1989DH
47.242298.15Andreoli-Ball, Patterson, et al., 1988DH
47.242298.15Perez-Casas, Aicart, et al., 1988DH
46.759298.15Saito and Tanaka, 1988DH
46.807298.15Benson and D'Arcy, 1986DH
48.52308.35Naziev, Bashirov, et al., 1986T = 308.35, 333.15. p = 0.1 MPa. Unsmoothed experimental datum given as 2.356 kJ/kg*K.; DH
47.242298.15Tardajos, Aicart, et al., 1986DH
46.597298.15Costas and Patterson, 1985T = 283.15, 298.15, 313.15 K.; DH
46.797298.15Benson, D'Arcy, et al., 1984DH
46.685298.15Bravo, Pintos, et al., 1984DH
46.87297.32Grigor'ev and Andolenko, 1984T = 293 to 324 K. Unsmoothed experimental datum given as 2.276 kJ/kg*K.; DH
46.797298.15Aicart, Kumaran, et al., 1983DH
46.797298.15Benson, D'Arcy, et al., 1983DH
46.685298.15Wilhelm, Inglese, et al., 1982DH
46.63298.Zaripov, 1982T = 298, 323 K.; DH
46.788298.15Grolier, Inglese, et al., 1981DH
46.759297.316Kalinowska, Jedlinska, et al., 1980T = 185 to 300 K. Unsmoothed experimental datum.; DH
44.02300.Czarnota, 1979DH
46.89298.Grigor'ev, Rastorguev, et al., 1975T = 300 to 463 K.; DH
47.44298.15Diaz pena and Renuncio, 1974T = 298 to 325 K.; DH
46.869299.8Connolly, Sage, et al., 1951T = 80 to 200°F.; DH
46.599298.15Douslin and Huffman, 1946T = 13 to 300 K.; DH
44.50300.7Phillip, 1939DH
45.20298.1Stull, 1937T = 90 to 320 K. Hump about 262 K with abnormal curve to 320 K.; DH
46.20293.5Huffman, Parks, et al., 1931T = 140 to 294 K. Value is unsmoothed experimental datum.; DH
45.79295.1Parks, Huffman, et al., 1930T = 90 to 295 K. Value is unsmoothed experimental datum.; DH
46.39298.von Reis, 1881T = 290 to 363 K.; DH

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00076 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00107500.XN/A 
0.00060 LN/A 
0.00055 VN/A 

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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

Spectrum

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NIST MS number 19379

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References

Go To: Top, Condensed phase thermochemistry data, Henry's Law 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 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]


Notes

Go To: Top, Condensed phase thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), References