Propene

• Formula: C₃H₆
• Molecular weight: 42.0797
• IUPAC Standard InChI: InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 Copy

  
• IUPAC Standard InChIKey: QQONPFPTGQHPMA-UHFFFAOYSA-N Copy
• CAS Registry Number: 115-07-1
• 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:
  • Propene-d6
• Other names: Propylene; 1-Propene; Methylethylene; 1-Propylene; CH3CH=CH2; Methylethene; NCI-C50077; UN 1077; R 1270
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Gas Chromatography
  • 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
• Options:
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• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

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

C₃H₅^- +  =

By formula: C₃H₅^- + H⁺ = C₃H₆

 +  =

By formula: HBr + C₃H₆ = C₃H₇Br

 +  =

By formula: C₃H₆ + H₂ = C₃H₈

C₃H₅^- +  =

By formula: C₃H₅^- + H⁺ = C₃H₆

 +  =  + 

By formula: HI + C₃H₅I = C₃H₆ + I₂

=  + 

By formula: C₃H₇Cl = C₃H₆ + HCl

 +  = ( • )

By formula: Co⁺ + C₃H₆ = (Co⁺ • C₃H₆)

Enthalpy of reaction

C₃H₉Si⁺ +  = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₃H₆ = (C₃H₉Si⁺ • C₃H₆)

 +  =

By formula: C₃H₆ + Br₂ = C₃H₆Br₂

C₃H₅^- +  =

By formula: C₃H₅^- + H⁺ = C₃H₆

 +  = ( • )

By formula: Li⁺ + C₃H₆ = (Li⁺ • C₃H₆)

Rh⁺ +  = (Rh⁺ • )

By formula: Rh⁺ + C₃H₆ = (Rh⁺ • C₃H₆)

Enthalpy of reaction

 +  = ( • )

By formula: Fe⁺ + C₃H₆ = (Fe⁺ • C₃H₆)

Enthalpy of reaction

(CAS Reg. No. 25012-80-0 • 4294967295) +  = CAS Reg. No. 25012-80-0

By formula: (CAS Reg. No. 25012-80-0 • 4294967295C₃H₆) + C₃H₆ = CAS Reg. No. 25012-80-0

(CAS Reg. No. 59513-13-2 • 4294967295) +  = CAS Reg. No. 59513-13-2

By formula: (CAS Reg. No. 59513-13-2 • 4294967295C₃H₆) + C₃H₆ = CAS Reg. No. 59513-13-2

 +  =

By formula: C₃H₆ + HCl = C₃H₇Cl

 +  =

By formula: HI + C₃H₆ = C₃H₇I

 +  =

By formula: C₃H₆ + H₂O₄S = isopropyl hydrogen sulphate

=  + 

By formula: C₃H₆I₂ = C₃H₆ + I₂

=  + 

By formula: C₃H₇Br = HBr + C₃H₆

 +  =

By formula: C₃H₆ + C₃F₆O = C₆H₆F₆O

 +  = ( • )

By formula: Au⁺ + C₃H₆ = (Au⁺ • C₃H₆)

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

References

Go To: Top, 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.

Ellison, Davico, et al., 1996
Ellison, G.B.; Davico, G.E.; Bierbaum, V.M.; DePuy, C.H., Thermochemistry of theb Benzyl and Allyl Radicals and Ions, Int. J. Mass Spectrom. Ion Proc., 1996, 156, 1-2, 109-131, https://doi.org/10.1016/S0168-1176(96)04383-2 . [all data]

Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions, J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Mackay, Lien, et al., 1978
Mackay, G.I.; Lien, M.H.; Hopkinson, A.C.; Bohme, D.K., Experimental and theoretical studies of proton removal from propene, Can. J. Chem., 1978, 56, 131. [all data]

Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Park, J.D., Reaction heats of organic halogen compounds. X. Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Phys. Chem., 1957, 61, 1124-1125. [all data]

Lacher, Lea, et al., 1950
Lacher, J.R.; Lea, K.R.; Walden, C.H.; Olson, G.G.; Park, J.D., Reaction heats of organic fluorine compounds. III. The vapor phase heats of hydrobromination of some simple fluoroolefins, J. Am. Chem. Soc., 1950, 72, 3231-3234. [all data]

Lacher, Walden, et al., 1950
Lacher, J.R.; Walden, C.H.; Lea, K.R.; Park, J.D., Vapor phase heats of hydrobromination of cyclopropane and propylene, J. Am. Chem. Soc., 1950, 72, 331-333. [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]

Kistiakowsky and Nickle, 1951
Kistiakowsky, G.B.; Nickle, A.G., Ethane-ethylene and propane-propylene equilibria, Faraday Discuss. Chem. Soc., 1951, 10, 175-187. [all data]

Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons, J. Am. Chem. Soc., 1935, 57, 876-882. [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]

Froelicher, Freiser, et al., 1986
Froelicher, S.W.; Freiser, B.S.; Squires, R.R., The C₃H₅^- isomers. Experimental and theoretical studies of the tautomeric propenyl ions and the cyclopropyl anion in the gas phase, J. Am. Chem. Soc., 1986, 108, 2853. [all data]

Rodgers, Golden, et al., 1966
Rodgers, A.S.; Golden, D.M.; Benson, S.W., The thermochemistry of the gas phase equilibrium I₂ + C₃H₆ = C₃H₅I + HI, J. Am. Chem. Soc., 1966, 88, 3194-3196. [all data]

Noren and Sunner, 1970
Noren, I.; Sunner, S., The enthalpy of formation of 2-chloropropane from equilibrium studies, J. Chem. Thermodyn., 1970, 2, 597-602. [all data]

Kabo and Andreevskii, 1963
Kabo, G.Ya.; Andreevskii, D.N., Equilibrium of 2-chloropropane dehydrochlorination, Neftekhimiya, 1963, 3, 764-770. [all data]

Howlett, 1955
Howlett, K.E., The use of equilibrium constants to calculate thermodynamic quantities. Part II, J. Chem. Soc., 1955, 1784-17. [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Haynes and Armentrout, 1994
Haynes, C.L.; Armentrout, P.B., Thermochemistry and Structures of CoC3H6+: Metallacyclic and Metal-Alkene Isomers, Organomettalics, 1994, 13, 9, 3480, https://doi.org/10.1021/om00021a022 . [all data]

Li and Stone, 1989
Li, X.; Stone, J.A., Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes, J. Am. Chem. Soc., 1989, 111, 15, 5586, https://doi.org/10.1021/ja00197a013 . [all data]

Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VII. Addition of halogens to olefins, J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Chen and Armetrout, 1995
Chen, Y.M.; Armetrout, P.B., Activation of C2H6, C3H8, and c-C3H6 by Gas-Phase Rh+ and the Thermochemistry of Rh-Ligand Complexes, J. Am. Chem. Soc., 1995, 117, 36, 9291, https://doi.org/10.1021/ja00141a022 . [all data]

Furuyama, Golden, et al., 1969
Furuyama, S.; Golden, D.M.; Benson, S.W., Thermochemistry of the gas phase equilibria i-C₃H₇I = C₃H₆ + HI, n-C₃H₇I = i-C₃H₇I, and C₃H₆ + 2HI = C₃H₈ + I₂, J. Chem. Thermodyn., 1969, 1, 363-375. [all data]

Entelis, Korovina, et al., 1960
Entelis, S.G.; Korovina, G.V.; Chirkov, N.M., The thermodynamics of propylene absorption by the H₂SO₄-H₂0 system, Dokl. Akad. Nauk SSSR, 1960, 134, 856-859. [all data]

Benson and Amano, 1962
Benson, S.W.; Amano, A., Thermodynamics of iodine addition to ethylene, propylene, and cyclopropane, J. Chem. Phys., 1962, 36, 3464-3471. [all data]

Rozhnov and Andreevskii, 1962
Rozhnov, A.M.; Andreevskii, D.N., Equilibrium in the system propene, hydrogen bromide, bromopropane, Dokl. Akad. Nauk SSSR, 1962, 147, 388-391. [all data]

Moore, 1971
Moore, L.O., Kinetics and thermodynamic data for the hydrogen fluoride addition to vinyl fluoride, Can. J. Chem., 1971, 49, 2471-2475. [all data]

Schroeder, Hrusak, et al., 1995
Schroeder, D.; Hrusak, J.; Hertwig, R.H.; Koch, W.; Schwerdtfeger, P.; Schwarz, H., Experimental and Theoretical Studies of Gold(I) Complexes Au(L)+ (L=H2O, CO, NH3, C2H4, C3H6, C4H6, C6H6, C6F6), Organometallics, 1995, 14, 1, 312, https://doi.org/10.1021/om00001a045 . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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