Heptane

• Formula: C₇H₁₆
• Molecular weight: 100.2019
• IUPAC Standard InChI: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N Copy
• CAS Registry Number: 142-82-5
• 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:
  • Heptane-1,2,3,4,5,6-d13
  • Heptane-1,2,3,4-d9
  • Heptane-1,2,3,-d7
  • Heptane-1-d3
  • Heptane-d16
• Other names: n-Heptane; Dipropylmethane; Heptyl hydride; Skellysolve C; n-C7H16; Eptani; Heptan; Heptanen; Gettysolve-C; NSC 62784
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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

Constant pressure heat capacity of liquid

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

• GAS (30 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution
• LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

• gas

References

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes

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

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]

Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C., Heats of combustion and formation of the nine isomeric heptanes in the liquid state, J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]

Huffman, Gross, et al., 1961
Huffman, H.M.; Gross, M.E.; Scott, D.W.; McCullough, I.P., Low temperature thermodynamic properties of six isomeric heptanes, J. Phys. Chem., 1961, 65, 495-503. [all data]

Douglas, Furukawa, et al., 1954
Douglas, T.B.; Furukawa, G.T.; McCoskey, R.E.; Ball, A.F., Calorimetric properties of normal heptane from 0 to 520 K, J. Res., 1954, NBS 53, 139-153. [all data]

Pitzer K.S., 1940
Pitzer K.S., The thermodynamics of n-heptane and 2,2,4-trimethylpentane, including heat capacities, heats of fusion and vaporization and entropies, J. Am. Chem. Soc., 1940, 62, 1224-1227. [all data]

Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Thomas, S.B., Thermal data on organic compounds. VIII. The heat capacities, entropies and free energies of the isomeric heptanes, J. Am. Chem. Soc., 1930, 52, 3241-3251. [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]

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]

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]

Shiohama, Ogawa, et al., 1988
Shiohama, Y.; Ogawa, H.; Murakami, S.; Fujihara, I., Excess molar isobaric heat capacities and isentropic compressibilities of (cis- or trans-decalin + benzene or toluene or iso-octane or n-heptane) at 298.15 K, J. Chem. Thermodynam., 1988, 20, 1183-1189. [all data]

Kalali, Kohler, et al., 1987
Kalali, H.; Kohler, F.; Svejda, P., Excess properties of the mixture bis(2-dichlorethyl)ether (chlorex) + 2,2,4-trimethylpentane (isooctane), Monatsh. Chem., 1987, 118, 1-18. [all data]

Tanaka, 1987
Tanaka, R., Excess heat capacities for mixture of benzene with n-heptane at 293.15, 298.15 and 303.15 K, J. Chem. Eng. Data, 1987, 32, 176-177. [all data]

Van Miltenburg, Van den Berg, et al., 1987
Van Miltenburg, J.C.; Van den Berg, G.J.K.; Van Bommel, M.J., Construction of an adiabatic calorimeter. Measurements of the molar heat capacity of synthetic sapphire and of n-heptane, J. Chem. Thermodynam., 1987, 19, 1129-1137. [all data]

Wilhelm, Inglese, et al., 1987
Wilhelm, E.; Inglese, A.; Roux, A.H.; Grolier, J.-P.E., Excess enthalpy, excess heat capacity and excess volume of 1,2,4-trimethylbenzene +, and 1-methylnaphthalene + an n-alkane, Fluid Phase Equilibria, 1987, 34, 49-67. [all data]

Baluja, Bravo, et al., 1985
Baluja, M.C.; Bravo, R.; Pintos, M.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E., Unusual dependence on concentration of the excess heat capacities of ester solutions in alkanes, Calorim. Anal. Therm., 1985, 16, 138-144. [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]

Tanaka, Nakamichi, et al., 1985
Tanaka, R.; Nakamichi, T.; Murakami, S., Molar excess heat capacities and volumes for mixtures of benzomitrile with cyclohexane between 10 and 45°C, J. Solution Chem., 1985, 14(11), 795-803. [all data]

Grolier, Inglese, et al., 1984
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess molar heat capacities of (1,4-dioxane + an n-alkane): an unusual composition dependence, J. Chem. Thermodynam., 1984, 16, 67-71. [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]

Kimura, Treszczanowicz, et al., 1983
Kimura, F.; Treszczanowicz, A.J.; Halpin, C.J.; Benson, G.C., Excess volumes and ultrasonic speeds for (di-n-propylether + n-heptane), J. Chem. Thermodynam., 1983, 15, 503-510. [all data]

Tan, Zhou, et al., 1983
Tan, Z.; Zhou, L.; Chen, S.; Yin, A.; Sun, Y.; Ye, J.; Wang, X., An adiabatic calorimeter for heat-capacity measurements from 80 to 400 K - heat capacities of a-alumina and n-heptane, Sci. Sin., Ser. B (Engl. Ed.), 1983, 26, 1014-1026. [all data]

Tanaka, 1982
Tanaka, R., Determination of excess heat capacities of (benzene + tetrachloromethane and + cyclohexane) between 293.15 and 303.15 K by use of a Picker flow calorimeter, J. Chem. Thermodynam., 1982, 14, 259-268. [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]

Brown and Ziegler, 1979
Brown, G.N., Jr.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of ethanol + n-heptane and 2-propanol + n-heptane solutions, J. Chem. Eng. Data, 1979, 24, 319-330. [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]

Grolier, Hamedi, et al., 1979
Grolier, J-P.E.; Hamedi, M.H.; Wilhelm, E.; Kehiaian, H.V., Excess heat capacities of binary mixtures of carbon tetrachloride with n-alkanes at 298.15 K, Thermochim. Acta, 1979, 31, 79-84. [all data]

Schaake, Offringa, et al., 1979
Schaake, R.C.F.; Offringa, J.C.A.; van der Berg, G.J.K.; van Miltenburg, J.C., Phase transitions in solids, studied by adiabatic calorimetry. I. Design and test of an automatic adiabatic calorimeter, J. Royal Netherlands Chem. Soc., 1979, 98, 408-412. [all data]

Woycicka and Kalinowska, 1978
Woycicka, M.; Kalinowska, B., Excess entahlpy and heat capacities of diluted propionic acid solutions in n-heptane, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1978, 26, 371-375. [all data]

Meijer, Blok, et al., 1977
Meijer, E.L.; Blok, J.G.; Kroon, J.; Oonk, H.A.J., The carvoxime system. IV. Heat capacities and enthalpies of melting of DL-carvoxime, L-carvoxime and standard n-heptane, Thermochim. Acta, 1977, 20, 325-334. [all data]

Fortier and Benson, 1976
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 411-423. [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]

Holzhauer and Ziegler, 1975
Holzhauer, J.K.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of n-heptane-toluene, methylcyclohexane-toluene, and n-heptane-methylcyclohexane systems, J. Phys. Chem., 1975, 79(6), 590-604. [all data]

Woycicka and Kalinowska, 1975
Woycicka, M.K.; Kalinowska, B., Enthalpies of mixing and excess heat capacities of dilute solutions of n-decanol with n-heptane and n-tridecane, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1975, 23, 759-764. [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]

Kalinowska and Woycicka, 1973
Kalinowska, B.; Woycicka, M., Excess heat capacities of dilute solutions of n-hexanol in n-alkanes, Bull. Aca. Pol. Sci. (Ser. Sci. Chim.), 1973, 21(11), 845-848. [all data]

Van Miltenburg, 1972
Van Miltenburg, J.C., Construction of an adiabatic calorimeter. Thermodynamic properties of standard n-heptane from 155 to 270K and of 2,2-dichloropropane from 135 to 270K, J. Chem. Thermodynam., 1972, 4, 773-782. [all data]

Oetting F.L., 1963
Oetting F.L., The heat capacity and entropy of 2-methyl-2-propanol from 15 to 330 K, J. Phys. Chem., 1963, 67, 2757-2761. [all data]

McCullough and Messerly, 1961
McCullough, J.P.; Messerly, J.F., The chemical thermodynamic properties of hydrocarbons and related substances, Bureau of Mines Bulletin, 1961, 596, pp. [all data]

Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heat of some ternary azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 365-366. [all data]

Helfrey, Heiser, et al., 1955
Helfrey, P.F.; Heiser, D.A.; Sage, B.H., Isobaric heat capacities at bubble point, Two trimethylbenzenes and n-heptane, Ind. Eng. Chem., 1955, 44, 2385-2388. [all data]

Ginnings and Furukawa, 1953
Ginnings, D.C.; Furukawa, G.T., Heat capacity standards for the range 14 to 1200°K, J. Am. Chem. Soc., 1953, 75, 522-527. [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]

Bykov, 1939
Bykov, V.T., Heat of mixing of liquids, Zhur. Fiz. Khim., 1939, 13, 1013-1019. [all data]

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

Vold, 1937
Vold, R.D., A calorimetric test of the solubility equation for regular solutions, J. Am. Chem. Soc., 1937, 59, 1515-1521. [all data]

Richards and Wallace, 1932
Richards, W.T.; Wallace, J.H., Jr., The specific heats of five organic liquids from their adiabatic temperature-pressure coefficients, J. Am. Chem. Soc., 1932, 54, 2705-2713. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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

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