Allene

• Formula: C₃H₄
• Molecular weight: 40.0639
• IUPAC Standard InChI: InChI=1S/C3H4/c1-3-2/h1-2H2 Copy

  
• IUPAC Standard InChIKey: IYABWNGZIDDRAK-UHFFFAOYSA-N Copy
• CAS Registry Number: 463-49-0
• 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: Propadiene; 1,2-Propadiene; sym-Allylene; Dimethylenemethane; CH2=C=CH2; Propa-1,2-diene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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 by: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Reaction thermochemistry data

Go To: Top, Gas phase 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 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

C₃H₃^- +  =

By formula: C₃H₃^- + H⁺ = C₃H₄

2 +  =

By formula: 2H₂ + C₃H₄ = C₃H₈

(CAS Reg. No. 86046-90-4 • 4294967295) +  = CAS Reg. No. 86046-90-4

By formula: (CAS Reg. No. 86046-90-4 • 4294967295C₃H₄) + C₃H₄ = CAS Reg. No. 86046-90-4

(CAS Reg. No. 83268-51-3 • 4294967295) +  = CAS Reg. No. 83268-51-3

By formula: (CAS Reg. No. 83268-51-3 • 4294967295C₃H₄) + C₃H₄ = CAS Reg. No. 83268-51-3

(CAS Reg. No. 1724-46-5 • 4294967295) +  = CAS Reg. No. 1724-46-5

By formula: (CAS Reg. No. 1724-46-5 • 4294967295C₃H₄) + C₃H₄ = CAS Reg. No. 1724-46-5

=

By formula: C₃H₄ = C₃H₄

(CAS Reg. No. 86046-88-0 • 4294967295) +  = CAS Reg. No. 86046-88-0

By formula: (CAS Reg. No. 86046-88-0 • 4294967295C₃H₄) + C₃H₄ = CAS Reg. No. 86046-88-0

Rh⁺ +  = (Rh⁺ • )

By formula: Rh⁺ + C₃H₄ = (Rh⁺ • C₃H₄)

Enthalpy of reaction

 +  = ( • )

By formula: Cr⁺ + C₃H₄ = (Cr⁺ • C₃H₄)

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Kilpatrick J.E., 1949
Kilpatrick J.E., Heats, equilibrium constants, and free energies of formation of the C3 to C5 diolefins, styrene, and the methylstyrenes, J. Res. Nat. Bur. Stand., 1949, 42, 225-240. [all data]

Kistiakowsky G.B., 1940
Kistiakowsky G.B., Gaseous heat capacities. II, J. Chem. Phys., 1940, 8, 610-618. [all data]

Kistiakowsky G.B., 1940, 2
Kistiakowsky G.B., The low temperature gaseous heat capacities of certain C3 hydrocarbons, J. Chem. Phys., 1940, 8, 970-977. [all data]

Robinson, Polak, et al., 1995
Robinson, M.S.; Polak, M.L.; Bierbaum, V.M.; DePuy, C.H.; Lineberger, W.C., Experimental Studies of Allene, Methylacetylene, and the Propargyl Radical: Bond Dissociation Energies, Gas-Phase Acidities, and Ion-Molecule Chemistry, J. Am. Chem. Soc., 1995, 117, 25, 6766, https://doi.org/10.1021/ja00130a017 . [all data]

Oakes and Ellison, 1983
Oakes, J.M.; Ellison, B.G., Photoelectron spectroscopy of the allenyl anion CH₂=C=CH^-, J. Am. Chem. Soc., 1983, 105, 2969. [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]

Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R., Effect of central substituents on the gas phase acidities of propenes, J. Org. Chem., 1984, 49, 1382. [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]

Cordes and Gunzler, 1959
Cordes, J.F.; Gunzler, H., Das propin/propadien-gleichgewicht, Chem. Ber., 1959, 92, 1055-1062. [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]

Fisher and Armentrout, 1992
Fisher, E.R.; Armentrout, P.B., Activation of Alkanes by Cr+: Unique Reactivity of Ground-State Cr+(6S) and Thermochemistry of Neutral and Ionic Chromium-Carbon Bonds, J. Am. Chem. Soc., 1992, 114, 6, 2039, https://doi.org/10.1021/ja00032a017 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References

• Symbols used in this document:
  

  Cp,gas	Constant pressure heat capacity of gas
  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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