1,3-Pentadiyne

• Formula: C₅H₄
• Molecular weight: 64.0853
• IUPAC Standard InChI: InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3 Copy

  
• IUPAC Standard InChIKey: VNMDYSSJFJFEQI-UHFFFAOYSA-N Copy
• CAS Registry Number: 4911-55-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Gas Phase Kinetics Database
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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

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C₅H₄⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Prevost, 1929
Prevost, C., Ann. Chim., 1929, 10, 113. [all data]

Maier, 1981
Maier, J.P., Structure and decay of gaseous organic radical cations studied by their radiative decay, exemplified by the 1,3-pentadiyne cation, Angew. Chem. Int. Ed. Engl., 1981, 20, 638. [all data]

Forster, Maier, et al., 1981
Forster, P.; Maier, J.P.; Thommen, F., Radiative and non-radiative decay rates of alkyl substituted diacetylene cations at selected energies within their 2A states determined via photoelectron-photoion coincidence measurements, Chem. Phys., 1981, 59, 85. [all data]

Dannacher, Heilbronner, et al., 1979
Dannacher, J.; Heilbronner, E.; Stadelmann, J.-P.; Vogt, J., 225. Fragmentation of energy selected butadiyne and 1,3-pentadiyne radical cations, Helv. Chim. Acta, 1979, 62, 2186. [all data]

Brogli, Heilbronner, et al., 1973
Brogli, F.; Heilbronner, E.; Hornung, V.; Kloster-Jensen, E., 230. Die photoelektronen-spektren methyl-substituierter Acetylene, Helv. Chim. Acta, 1973, 56, 2171. [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]

Kompe, Peel, et al., 1993
Kompe, B.; Peel, J.B.; Traeger, J.C., A theoretical and experimental study of the structures and stabilities of the [C₅H₃]⁺ cation, Org. Mass Spectrom., 1993, 28, 1253. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point

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