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
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI units

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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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

Reaction 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:
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 (solution) +  (solution) = C₁₄H₂₁MnO₂ (solution) +  (solution)

By formula: C₈H₅MnO₃ (solution) + C₇H₁₆ (solution) = C₁₄H₂₁MnO₂ (solution) + CO (solution)

 (solution) +  (solution) = C₁₂H₁₆CrO₅ (solution) +  (solution)

By formula: C₆CrO₆ (solution) + C₇H₁₆ (solution) = C₁₂H₁₆CrO₅ (solution) + CO (solution)

C₁₂H₁₆CrO₅ (solution) =  (solution) + C₅CrO₅ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) = C₇H₁₆ (solution) + C₅CrO₅ (solution)

 +  =

By formula: H₂ + C₇H₁₄ = C₇H₁₆

C₁₂H₁₆MoO₅ (solution) = C₅MoO₅ (solution) +  (solution)

By formula: C₁₂H₁₆MoO₅ (solution) = C₅MoO₅ (solution) + C₇H₁₆ (solution)

C₁₂H₁₆O₅W (solution) = C₅O₅W (solution) +  (solution)

By formula: C₁₂H₁₆O₅W (solution) = C₅O₅W (solution) + C₇H₁₆ (solution)

 (solution) +  (solution) = C₁₂H₁₆MoO₅ (solution) +  (solution)

By formula: C₆MoO₆ (solution) + C₇H₁₆ (solution) = C₁₂H₁₆MoO₅ (solution) + CO (solution)

 +  =

By formula: H₂ + C₇H₁₄ = C₇H₁₆

=

By formula: C₇H₁₆ = C₇H₁₆

=

By formula: C₇H₁₆ = C₇H₁₆

=

By formula: C₇H₁₆ = C₇H₁₆

=

By formula: C₇H₁₆ = C₇H₁₆

=

By formula: C₇H₁₆ = C₇H₁₆

=

By formula: C₇H₁₆ = C₇H₁₆

 (solution) +  (solution) = C₁₂H₁₆O₅W (solution) +  (solution)

By formula: C₆O₆W (solution) + C₇H₁₆ (solution) = C₁₂H₁₆O₅W (solution) + CO (solution)

 (solution) +  (solution) = C₁₅H₂₂CrO₂ (solution) +  (solution)

By formula: C₉H₆CrO₃ (solution) + C₇H₁₆ (solution) = C₁₅H₂₂CrO₂ (solution) + CO (solution)

 (solution) +  (solution) = C₁₅H₂₁O₃V (solution) +  (solution)

By formula: C₉H₅O₄V (solution) + C₇H₁₆ (solution) = C₁₅H₂₁O₃V (solution) + CO (solution)

C₁₂H₁₆CrO₅ (solution) +  (solution) =  (solution) + C₁₀H₅CrNO₅ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₄H₄N₂ (solution) = C₇H₁₆ (solution) + C₁₀H₅CrNO₅ (solution)

 +  =

By formula: H₂ + C₇H₁₄ = C₇H₁₆

 +  =

By formula: H₂ + C₇H₁₄ = C₇H₁₆

C₁₄H₂₁MnO₂ (solution) +  (solution) = C₁₁H₁₃MnO₃ (solution) +  (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + C₄H₈O (solution) = C₁₁H₁₃MnO₃ (solution) + C₇H₁₆ (solution)

 +  =

By formula: H₂ + C₇H₁₄ = C₇H₁₆

C₁₂H₁₆CrO₅ (solution) +  (solution) = C₉H₈CrO₆ (solution) +  (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₄H₈O (solution) = C₉H₈CrO₆ (solution) + C₇H₁₆ (solution)

C₁₂H₁₆CrO₅ (solution) +  (solution) =  (solution) + C₈H₆CrO₆ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₃H₆O (solution) = C₇H₁₆ (solution) + C₈H₆CrO₆ (solution)

C₁₂H₁₆CrO₅ (solution) +  (solution) = C₁₇H₂₇CrNO₅ (solution) +  (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₁₂H₂₇N (solution) = C₁₇H₂₇CrNO₅ (solution) + C₇H₁₆ (solution)

C₁₂H₁₆CrO₅ (solution) +  (solution) = C₁₁H₁₂CrO₅ (solution) +  (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₆H₁₂ (solution) = C₁₁H₁₂CrO₅ (solution) + C₇H₁₆ (solution)

C₁₄H₂₁MnO₂ (solution) +  (solution) = C₁₀H₁₁MnO₃ (solution) +  (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + C₃H₆O (solution) = C₁₀H₁₁MnO₃ (solution) + C₇H₁₆ (solution)

C₁₄H₂₁MnO₂ (solution) +  (solution) = C₈H₇Cl₂MnO₂ (solution) +  (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + CH₂Cl₂ (solution) = C₈H₇Cl₂MnO₂ (solution) + C₇H₁₆ (solution)

C₁₄H₂₁MnO₂ (solution) +  (solution) = C₈H₇Br₂MnO₂ (solution) +  (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + CH₂Br₂ (solution) = C₈H₇Br₂MnO₂ (solution) + C₇H₁₆ (solution)

C₁₂H₁₆CrO₅ (solution) +  (solution) = C₇H₅CrO₆ (solution) +  (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₂H₆O (solution) = C₇H₅CrO₆ (solution) + C₇H₁₆ (solution)

C₁₂H₁₆CrO₅ (solution) +  (solution) = C₈H₆CrNO₅ (solution) +  (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₂H₃N (solution) = C₈H₆CrNO₅ (solution) + C₇H₁₆ (solution)

 + 2 =

By formula: C₇H₁₂ + 2H₂ = C₇H₁₆

2 +  =

By formula: 2H₂ + C₇H₁₂ = C₇H₁₆

2 +  =

By formula: 2H₂ + C₇H₁₂ = C₇H₁₆

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Reaction 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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
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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]

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Zaripov, 1982
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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]

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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
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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
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Grigor'ev, Rastorguev, et al., 1975
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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
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Kalinowska and Woycicka, 1973
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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]

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Prosen and Rossini, 1941
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Burkey, 1990
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Klassen, Selke, et al., 1990
Klassen, J.K.; Selke, M.; Sorensen, A.A.; Yang, G.K., J. Am. Chem. Soc., 1990, 112, 1267. [all data]

Yang and Yang, 1992
Yang, P.-F.; Yang, K.G., J. Am. Chem. Soc., 1992, 114, 6937. [all data]

Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Lias, 1982
Lias, S.G., Thermochemical information from ion-molecule rate constants, Ion Cyclotron Reson. Spectrom. 1982, 1982, 409. [all data]

Mautner(Meot-Ner), Sieck, et al., 1981
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Lias, Ausloos, et al., 1976
Lias, S.G.; Ausloos, P.; Horvath, Z., Charge transfer reactions in alkane and cycloalkane systems. Estimated ionization potentials, Int. J. Chem. Kinet., 1976, 8, 725. [all data]

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Steiner, Giese, et al., 1961
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Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  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
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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