n-Hexane
- Formula: C6H14
- Molecular weight: 86.1754
- IUPAC Standard InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
- CAS Registry Number: 110-54-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Hexane; Skellysolve B; n-C6H14; Esani; Heksan; Hexanen; Hexyl hydride; Gettysolve-B; NCI-C60571; NSC 68472
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Condensed phase thermochemistry data
Go To: Top, 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 |
---|---|---|---|---|---|
ΔfH°liquid | -47.48 ± 0.16 | kcal/mol | Ccb | Good and Smith, 1969 | ALS |
ΔfH°liquid | -47.52 ± 0.19 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -995. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 70.760 | cal/mol*K | N/A | Douslin and Huffman, 1946 | DH |
S°liquid | 69.19 | cal/mol*K | N/A | Stull, 1937 | Extrapolation below 91 K, 54.68 J/mol*K.; DH |
S°liquid | 70.60 | cal/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 64.02 J/mol*K.; DH |
S°liquid | 71.10 | cal/mol*K | N/A | Parks, Huffman, et al., 1930 | Extrapolation below 90 K, 65.44 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
63.38 | 298.15 | Pruzan, 1991 | DH |
46.730 | 298.15 | Ohnishi, Fujihara, et al., 1989 | DH |
47.242 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
47.242 | 298.15 | Perez-Casas, Aicart, et al., 1988 | DH |
46.759 | 298.15 | Saito and Tanaka, 1988 | DH |
46.807 | 298.15 | Benson and D'Arcy, 1986 | DH |
48.52 | 308.35 | Naziev, Bashirov, et al., 1986 | T = 308.35, 333.15. p = 0.1 MPa. Unsmoothed experimental datum given as 2.356 kJ/kg*K.; DH |
47.242 | 298.15 | Tardajos, Aicart, et al., 1986 | DH |
46.597 | 298.15 | Costas and Patterson, 1985 | T = 283.15, 298.15, 313.15 K.; DH |
46.797 | 298.15 | Benson, D'Arcy, et al., 1984 | DH |
46.685 | 298.15 | Bravo, Pintos, et al., 1984 | DH |
46.87 | 297.32 | Grigor'ev and Andolenko, 1984 | T = 293 to 324 K. Unsmoothed experimental datum given as 2.276 kJ/kg*K.; DH |
46.797 | 298.15 | Aicart, Kumaran, et al., 1983 | DH |
46.797 | 298.15 | Benson, D'Arcy, et al., 1983 | DH |
46.685 | 298.15 | Wilhelm, Inglese, et al., 1982 | DH |
46.63 | 298. | Zaripov, 1982 | T = 298, 323 K.; DH |
46.788 | 298.15 | Grolier, Inglese, et al., 1981 | DH |
46.759 | 297.316 | Kalinowska, Jedlinska, et al., 1980 | T = 185 to 300 K. Unsmoothed experimental datum.; DH |
44.02 | 300. | Czarnota, 1979 | DH |
46.89 | 298. | Grigor'ev, Rastorguev, et al., 1975 | T = 300 to 463 K.; DH |
47.44 | 298.15 | Diaz pena and Renuncio, 1974 | T = 298 to 325 K.; DH |
46.869 | 299.8 | Connolly, Sage, et al., 1951 | T = 80 to 200°F.; DH |
46.599 | 298.15 | Douslin and Huffman, 1946 | T = 13 to 300 K.; DH |
44.50 | 300.7 | Phillip, 1939 | DH |
45.20 | 298.1 | Stull, 1937 | T = 90 to 320 K. Hump about 262 K with abnormal curve to 320 K.; DH |
46.20 | 293.5 | Huffman, Parks, et al., 1931 | T = 140 to 294 K. Value is unsmoothed experimental datum.; DH |
45.79 | 295.1 | Parks, Huffman, et al., 1930 | T = 90 to 295 K. Value is unsmoothed experimental datum.; DH |
46.39 | 298. | von Reis, 1881 | T = 290 to 363 K.; DH |
References
Go To: Top, 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 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, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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