3-Penten-1-yne, (E)-

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas259.kJ/molChydRoth, Adamczak, et al., 1991 

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

3Hydrogen + 3-Penten-1-yne, (E)- = Pentane

By formula: 3H2 + C5H6 = C5H12

Quantity Value Units Method Reference Comment
Δr-406. ± 1.kJ/molChydRoth, Adamczak, et al., 1991liquid phase
Δr-402. ± 2.kJ/molChydSkinner and Snelson, 1959liquid phase; solvent: Acetic acid

3-Penten-1-yne, (Z)- = 3-Penten-1-yne, (E)-

By formula: C5H6 = C5H6

Quantity Value Units Method Reference Comment
Δr4. ± 3.kJ/molEqkRoth, Hopf, et al., 1994gas phase; At 959 K

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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C5H6+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.05 ± 0.01DERCarlier, Mouvier, et al., 1979 
9.1 ± 0.1PEBieri, Burger, et al., 1977Vertical value
9.11 ± 0.03PEVan Hoorn, 1975Vertical value

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

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 195

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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.

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Skinner and Snelson, 1959
Skinner, H.A.; Snelson, A., Heats of hydrogenation Part 3., Trans. Faraday Soc., 1959, 55, 405-407. [all data]

Roth, Hopf, et al., 1994
Roth, W.R.; Hopf, H.; Horn, C., Propargyl-Stabilisierungsenergie, Chem. Ber., 1994, 127, 1781-1795. [all data]

Carlier, Mouvier, et al., 1979
Carlier, P.; Mouvier, G.; Mesnard, D.; Miginiac, L., Etude par spectrometrie de photoelectrons de la structure electronique des phenyl-alcynes conjugues, J. Electron Spectrosc. Relat. Phenom., 1979, 16, 147. [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]

Van Hoorn, 1975
Van Hoorn, M.D., He(I) ionisation potentials and MO calculations of butenyne and the monomethyl-substituted butenynes, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 65. [all data]


Notes

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