Pentane

• Formula: C₅H₁₂
• Molecular weight: 72.1488
• IUPAC Standard InChI: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N Copy
• CAS Registry Number: 109-66-0
• 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.
• Other names: n-Pentane; Skellysolve A; n-C5H12; Pentan; Pentanen; Pentani; Amyl hydride; NSC 72415
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• Information on this page:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Fluid Properties
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  • 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

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

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

 +  =

By formula: C₅H₁₀ + H₂ = C₅H₁₂

C₁₀H₁₂CrO₅ (solution) =  (solution) + C₅CrO₅ (solution)

By formula: C₁₀H₁₂CrO₅ (solution) = C₅H₁₂ (solution) + C₅CrO₅ (solution)

 (solution) +  (solution) = C₁₀H₁₂CrO₅ (solution) +  (solution)

By formula: C₅H₁₂ (solution) + C₆CrO₆ (solution) = C₁₀H₁₂CrO₅ (solution) + CO (solution)

3 +  =

By formula: 3H₂ + C₅H₆ = C₅H₁₂

3 +  =

By formula: 3H₂ + C₅H₆ = C₅H₁₂

2 +  =

By formula: 2H₂ + C₅H₈ = C₅H₁₂

 (solution) + C₅H₁₁BrMg (solution) = C₆H₅BrMgO (solution) +  (solution)

By formula: C₆H₆O (solution) + C₅H₁₁BrMg (solution) = C₆H₅BrMgO (solution) + C₅H₁₂ (solution)

C₅H₁₁BrMg (solution) +  (g) =  (solution) + Br₂Mg (solution)

By formula: C₅H₁₁BrMg (solution) + HBr (g) = C₅H₁₂ (solution) + Br₂Mg (solution)

 (solution) + C₅H₁₁BrMg (solution) = C₂H₅BrMgO (solution) +  (solution)

By formula: C₂H₆O (solution) + C₅H₁₁BrMg (solution) = C₂H₅BrMgO (solution) + C₅H₁₂ (solution)

C₅H₁₁BrMg (solution) +  (solution) = CH₄BrMgN (solution) +  (solution)

By formula: C₅H₁₁BrMg (solution) + CH₅N (solution) = CH₄BrMgN (solution) + C₅H₁₂ (solution)

2 +  =

By formula: 2H₂ + C₅H₈ = C₅H₁₂

C₅O₅W (g) +  (g) = C₁₀H₁₂O₅W (g)

By formula: C₅O₅W (g) + C₅H₁₂ (g) = C₁₀H₁₂O₅W (g)

C₅H₁₁BrMg (solution) +  (solution) =  (solution) + CH₃BrMg (solution)

By formula: C₅H₁₁BrMg (solution) + CH₄ (solution) = C₅H₁₂ (solution) + CH₃BrMg (solution)

 (solution) + C₅H₁₁BrMg (solution) = C₃HBrMgN₂ (solution) +  (solution)

By formula: C₃H₂N₂ (solution) + C₅H₁₁BrMg (solution) = C₃HBrMgN₂ (solution) + C₅H₁₂ (solution)

 (solution) + C₅H₁₁BrMg (solution) = C₁₂H₁₀BrMgN (solution) +  (solution)

By formula: C₁₂H₁₁N (solution) + C₅H₁₁BrMg (solution) = C₁₂H₁₀BrMgN (solution) + C₅H₁₂ (solution)

C₅H₁₁BrMg (solution) +  (solution) = C₂BrF₃MgO₂ (solution) +  (solution)

By formula: C₅H₁₁BrMg (solution) + C₂HF₃O₂ (solution) = C₂BrF₃MgO₂ (solution) + C₅H₁₂ (solution)

C₅H₁₁BrMg (solution) +  (solution) = C₆BrF₅MgO (cr) +  (solution)

By formula: C₅H₁₁BrMg (solution) + C₆HF₅O (solution) = C₆BrF₅MgO (cr) + C₅H₁₂ (solution)

C₅H₁₁BrMg (solution) +  (solution) = C₂H₂BrF₃MgO (solution) +  (solution)

By formula: C₅H₁₁BrMg (solution) + C₂H₃F₃O (solution) = C₂H₂BrF₃MgO (solution) + C₅H₁₂ (solution)

 (solution) + C₅H₁₁BrMg (solution) = CH₃BrMgO (cr) +  (solution)

By formula: CH₄O (solution) + C₅H₁₁BrMg (solution) = CH₃BrMgO (cr) + C₅H₁₂ (solution)

2 +  =

By formula: 2H₂ + C₅H₈ = C₅H₁₂

=

By formula: C₅H₁₂ = C₅H₁₂

 +  =

By formula: H₂ + C₅H₁₀ = C₅H₁₂

 +  =

By formula: H₂ + C₅H₁₀ = C₅H₁₂

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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Additional Data

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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, 1970
Good, W.D., The enthalpies of combustion and formation of the isomeric pentanes, J. Chem. Thermodyn., 1970, 2, 237-244. [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]

Prosen and Rossini, 1944
Prosen, E.J.; Rossini, F.D., Heats of combustion of eight normal paraffin hydrocarbons in the liquid state, J. Res. NBS, 1944, 33, 255-272. [all data]

Messerly, Guthrie, et al., 1967
Messerly, J.F.; Guthrie, G.B.; Todd, S.S.; Finke, H.L., Low-temperature thermal data for n-pentane, n-heptadecane, and n-octadecane, J. Chem. Eng. Data, 1967, 12, 338-346. [all data]

Messerly and Kennedy, 1940
Messerly, G.H.; Kennedy, R.M., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of n-pentane, J. Am. Chem. Soc., 1940, 62, 2988-2991. [all data]

Parks and Huffman, 1930
Parks, G.S.; Huffman, H.M., Thermal data on organic compounds. IX. A study of the effect of unsaturation on the heat capacities, entropies and free energies of some hydrocarbons and other compounds, J. Am. Chem. Soc., 1930, 52, 4381-4391. [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]

Molnar, Rachford, et al., 1984
Molnar, A.; Rachford, R.; Smith, G.V.; Liu, R., Heats of hydrogenation by a simple and rapid flow calorimetric method, Appl. Catal., 1984, 9, 219-223. [all data]

Rogers and Skanupong, 1974
Rogers, D.W.; Skanupong, S., Heats of hydrogenation of sixteen terminal monoolefins. The alternating effect, J. Phys. Chem., 1974, 78, 2569-2572. [all data]

Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J., A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring, Tetrahedron, 1971, 27, 3765-3775. [all data]

Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J., Organometallics, 1989, 8, 2471. [all data]

Lewis, Golden, et al., 1984
Lewis, K.E.; Golden, D.M.; Smith, G.P., Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)₅, Cr(CO)₆, Mo(CO)₆, and W(CO)₆, J. Am. Chem. Soc., 1984, 106, 3905. [all data]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Skinner and Snelson, 1959
Skinner, H.A.; Snelson, A., Heats of hydrogenation Part 3., Trans. Faraday Soc., 1959, 55, 405-407. [all data]

Kistiakowsky, Ruhoff, et al., 1936
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene, J. Am. Chem. Soc., 1936, 58, 146-153. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Holm, 1983
Holm, T., Acta Chem. Scand. B, 1983, 37, 797. [all data]

Holm, 1981
Holm, T., J. Chem. Soc., Perkin Trans. II, 1981, 464.. [all data]

Roth, Kirmse, et al., 1982
Roth, W.R.; Kirmse, W.; Hoffmann, W.; Lennartz, H.W., Heats of hydrogenation. III. Effect of fluoro substituents on the thermal rearrangement of cyclopropane systems, Chem. Ber., 1982, 115, 2508-2515. [all data]

Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M., J. Am. Chem. Soc., 1990, 112, 2530. [all data]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [all data]

Pines, Kvetinskas, et al., 1945
Pines, H.; Kvetinskas, B.; Kassel, L.S.; Ipatieff, V.N., Determination of equilibrium constants for butanes and pentanes, J. Am. Chem. Soc., 1945, 67, 631-637. [all data]

Egger and Benson, 1966
Egger, K.W.; Benson, S.W., Nitric oxide and iodine catalyzed isomerization of olefins. VI. Thermodynamic data from equilibrium studies of the geometrical and positional isomerization of n-pentenes, J. Am. Chem. Soc., 1966, 88, 236-240. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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
  ΔrH°	Enthalpy of reaction at standard conditions

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