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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Henry's Law data
  • IR Spectrum
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    T_r = reduced temperature (T / T_c)

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Entropy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

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

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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

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, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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]

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Pilcher, G.; Chadwick, J.D.M., Measurements of heats of combustion by flame calorimetry. Part 4.-n-Pentane, isopentane, neopentane, Trans. Faraday Soc., 1967, 63, 2357-2361. [all data]

Prosen and Rossini, 1945
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Rossini, 1934
Rossini, F.D., Calorimetric determination of the heats of combustion of ethane, propane, normal butane, and normal pentane, J. Res. NBS, 1934, 12, 735-750. [all data]

Messerly G.H., 1940
Messerly G.H., 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]

Scott D.W., 1974
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Kharin V.E., 1985
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Sage B.H., 1937
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Aftienjew, J.; Zawisza, A., High-Pressure Liquid Vapour-Equilibria, Critical State and p(V,T,x) Up to 501.15 K and 4.560 MPa for n-Pentane + n-Perfluoropentane, J. Chem. Thermodyn., 1977, 9, 2, 153-165, https://doi.org/10.1016/0021-9614(77)90081-7 . [all data]

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Beattie, J.A.; Levine, S.W.; Douslin, D.R., The vapor pressure and critical constants of normal pentane, J. Am. Chem. Soc., 1951, 73, 4431. [all data]

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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]

Pfohl, Riebesell, et al., 2002
Pfohl, Oliver; Riebesell, Christine; Dohrn, Ralf, Measurement and calculation of phase equilibria in the system n-pentane + poly(dimethylsiloxane) at 308.15--423.15 K, Fluid Phase Equilibria, 2002, 202, 2, 289-306, https://doi.org/10.1016/S0378-3812(02)00123-1 . [all data]

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Osborn, Ann G.; Douslin, Donald R., Vapor-pressure relations for 15 hydrocarbons, J. Chem. Eng. Data, 1974, 19, 2, 114-117, https://doi.org/10.1021/je60061a022 . [all data]

Das, Reed, et al., 1977
Das, Tarun R.; Reed, Charles O.; Eubank, Philip T., PVT surface and thermodynamic properties of n-pentane, J. Chem. Eng. Data, 1977, 22, 1, 3-9, https://doi.org/10.1021/je60072a014 . [all data]

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Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

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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]

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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]

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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]

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Lewis, Golden, et al., 1984
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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]

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Holm, 1981
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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]

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Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,gas	Constant pressure heat capacity of gas
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  S°gas	Entropy of gas at standard conditions
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Vc	Critical volume
  ΔcH°gas	Enthalpy of combustion of gas at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions
  ΔvapS	Entropy of vaporization
  ρc	Critical density

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