Propane

• Formula: C₃H₈
• Molecular weight: 44.0956
• IUPAC Standard InChI: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 74-98-6
• 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:
  • Propane-2-¹³c
  • Propane-d8
  • CH3CD2CH3
• Other names: n-Propane; Dimethylmethane; Freon 290; Liquefied petroleum gas; LPG; Propyl hydride; R 290; C3H8; UN 1978; A-108; Hydrocarbon propellant A-108; HC 290
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Henry's Law data
  • Ion clustering data
  • IR Spectrum
  • Vibrational and/or electronic energy levels
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
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Phase change data

Go To: Top, Gas phase ion energetics 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 compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/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 (bar)
    T = temperature (K)

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Enthalpy of sublimation

Enthalpy of fusion

Temperature of phase transition

Enthalpy of phase transition

Entropy of phase transition

Gas phase ion energetics data

Go To: Top, Phase change 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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

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

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₃H₇^- +  =

By formula: C₃H₇^- + H⁺ = C₃H₈

 +  =

By formula: C₃H₇^- + H⁺ = C₃H₈

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes

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, Phase change 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.

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Klipping and Schmidt, 1965
Klipping, G.; Schmidt, F., Temperature Measurement with the Vapor Pressure Thermometer, Kaeltetechnik, 1965, 17, 382-4. [all data]

Harteck and Edse, 1938
Harteck, P.; Edse, R., Vapor-pressure Measurement of Propane, Z. Phys. Chem., Abt. A, 1938, 182, 220. [all data]

Hicks-Brunn and Bruun, 1936
Hicks-Brunn, M.M.; Bruun, J.H., The Freezing and Boiling Point of Propane, J. Am. Chem. Soc., 1936, 58, 810-2. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Younglove and Ely, 1987
Younglove, B.A.; Ely, J.F., Thermophysical Properties of Fluids II. Methane, Ethane, Propane, Isobutane, and Normal Butane, J. Phys. Chem. Ref. Data, 1987, 16, 577. [all data]

Goodwin and Haynes, 1982
Goodwin, R.D.; Haynes, W.M., Thermophysical Properties of Propane from 85 to 700 K at Pressures to 70 MPa, NBS Monogr. (U. S.) No. 170, 249 pp., 1982. [all data]

Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C., Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes, J. Chem. Eng. Data, 1995, 40, 531-546. [all data]

Barber, Kay, et al., 1982
Barber, J.R.; Kay, W.B.; Teja, A.S., A study of the volumetric and phase behavior of binary systems: part I. critical properties of propane + perfluorocyclobutane mixtures., AIChE J., 1982, 28, 134-8. [all data]

Meyer, 1941
Meyer, R.E., , Ph.D. Thesis, Penn. State Univ., Univ. Park, PA, 1941. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Kemp and Egan, 1938
Kemp, J.D.; Egan, C.J., Hindered rotation of the methyl groups in propane. The heat capacity, vapor pressure, heats of fusion and vaporization of propane. Entropy and density of the gas, J. Am. Chem. Soc., 1938, 60, 1521-1525. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Majer, Sváb, et al., 1980
Majer, V.; Sváb, L.; Svoboda, V., Enthalpies of vaporization and cohesive energies for a group of chlorinated hydrocarbons, The Journal of Chemical Thermodynamics, 1980, 12, 9, 843-847, https://doi.org/10.1016/0021-9614(80)90028-2 . [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Reidel, 1938
Reidel, L., Z. Ges. Kalte-Ind., 1938, 45, 221. [all data]

Helgeson and Sage, 1967
Helgeson, N.L.; Sage, B.H., Latent Heat of Vaporization of Propane, J. Chem. Eng. Data, 1967, 12, 1, 47-49, https://doi.org/10.1021/je60032a015 . [all data]

Rips, 1963
Rips, S.M., On a Feasible Level of Filling in of Reservoires by Liquid Hydrocarbons, Khim. Prom. (Moscow), 1963, 8, 610-613. [all data]

Bondi, 1963
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]

Perkins, Ochoa, et al., 2009
Perkins, Richard A.; Ochoa, Jesus C. Sanchez; Magee, Joseph W., Thermodynamic Properties of Propane. II. Molar Heat Capacity at Constant Volume from (85 to 345) K with Pressures to 35 MPa, J. Chem. Eng. Data, 2009, 54, 12, 3192-3201, https://doi.org/10.1021/je900137r . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Takeda, Oguni, et al., 1990
Takeda, K.; Oguni, M.; Suga, H., A DTA apparatus for vapour-deposited samples. Characterisation of some vapour-deposited hydrocarbons, Thermochim. Acta, 1990, 158(1), 195-203. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Au, Cooper, et al., 1993
Au, J.W.; Cooper, G.; Brion, C.E., The molecular and dissociative photoionization of ethane, propane, and n-butane: Absolute oscillator strengths (10-80 eV) and breakdown pathways, Chem. Phys., 1993, 173, 241. [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]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Flesch and Svec, 1973
Flesch, G.D.; Svec, H.J., Fragmentation reactions in the mass spectrometer for C₂-C₅ alkanes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1187. [all data]

Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

Stockbauer and Inghram, 1971
Stockbauer, R.; Inghram, M.G., Experimental relative Franck-Condon factors for the ionization of methane, ethane, and propane, J. Chem. Phys., 1971, 54, 2242. [all data]

Vlaskov and Ovchinnikov, 1969
Vlaskov, V.A.; Ovchinnikov, A.A., The temperature dependence of the photoionization cross-section of polyatomic molecules, Opt. i Spektroskopiya, 1969, 27, 748, In original 408. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Cermak, 1968
Cermak, V., Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules, Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]

Chupka and Berkowitz, 1967
Chupka, W.A.; Berkowitz, J., Photoionization of ethane, propane, and n-butane with mass analysis, J. Chem. Phys., 1967, 47, 2921. [all data]

Lifshitz and Shapiro, 1966
Lifshitz, C.; Shapiro, M., Isotope effects on metastable transitions: C₃H₈ and C₃D₈, J. Chem. Phys., 1966, 45, 4242. [all data]

Turner and Al-Joboury, 1964
Turner, D.W.; Al-Joboury, M.I., Molecular photoelectron spectroscopy, Bull. Soc. Chim. Belges, 1964, 73, 428. [all data]

Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W., Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials, J. Chem. Soc., 1964, 4434. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Bieri and Asbrink, 1980
Bieri, G.; Asbrink, L., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 149. [all data]

Murrell and Schmidt, 1972
Murrell, J.N.; Schmidt, W., Photoelectron spectroscopic correlation of the molecular orbitals of methane, ethane, propane, isobutane and neopentane, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1709. [all data]

Ehrhardt and Tekaat, 1964
Ehrhardt, H.; Tekaat, T., Auftrittspotentialmessungen an ionisierten Molekulbruchstucken mit kinetischer Anfangsenergie, Z. Naturforsch., 1964, 19a, 1382. [all data]

Fuchs, 1972
Fuchs, R., Die kinetische energie ionisierter molekulfragmente VII. H₃ ALS fragmention bei der elektronenstrossionisierung von kohlenwasserstoffen, Int. J. Mass Spectrom. Ion Processes, 1972, 8, 193. [all data]

Appell, Durup, et al., 1966
Appell, J.; Durup, J.; Heitz, F., Sur le seuil d'apparition des ions fragments produits avec exces d'energie cinetique, Advan. Mass Spectrom., 1966, 3, 457. [all data]

Gilman, Hsieh, et al., 1982
Gilman, J.P.; Hsieh, T.; Meisels, G.G., Carbon skeletal rearrangement of the propane ion, J. Chem. Phys., 1982, 76, 3497. [all data]

Wolkoff and Holmes, 1978
Wolkoff, P.; Holmes, J.L., Fragmentations of alkane molecular ions, J. Am. Chem. Soc., 1978, 100, 7346. [all data]

Hickling and Jennings, 1970
Hickling, R.D.; Jennings, K.R., Kinetic shifts and metastable transitions, Org. Mass Spectrom., 1970, 3, 1499. [all data]

Omura, 1961
Omura, I., Mass spectra at low ionizing voltage and bond dissociation energies of molecular ions from hydrocarbons, Bull. Chem. Soc. Japan, 1961, 34, 1227. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M., Stabilization of Cycloalkyl Carbanions in the Gas Phase, Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608 . [all data]

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DePuy, C.H.; Bierbaum, V.M.; Damrauer, R., Relative Gas-Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1984, 106, 4051. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  Ptriple	Triple point pressure
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Ttrs	Temperature of phase transition
  Vc	Critical volume
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔfusH	Enthalpy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  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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