1,2,4-Pentatriene

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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

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
11.50100.Klaboe P., 1974 
16.68200.
22.27300.
27.531400.
32.029500.
35.801600.
38.960700.
41.649800.
43.960900.
45.9491000.

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

1,2,4-Pentatriene = Cyclobutane, methylene-

By formula: C5H6 = C5H6

Quantity Value Units Method Reference Comment
Δr-1.9 ± 0.6kcal/molEqkRoth, Hopf, et al., 1994gas phase; At 490 K
Δr-0.87kcal/molEqkPasto and Kong, 1989liquid phase

3-Penten-1-yne, (Z)- = 1,2,4-Pentatriene

By formula: C5H6 = C5H6

Quantity Value Units Method Reference Comment
Δr-0.3 ± 1.9kcal/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 as indicated in comments:
LLK - 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
8.88 ± 0.02PEBieri, Burger, et al., 1977LLK
8.88PEBischof, Gleiter, et al., 1975LLK
8.88PEBischof, Gleiter, et al., 1975Vertical value; LLK

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.

Klaboe P., 1974
Klaboe P., The vibrational spectra and molecular structure of 1,2,4-pentatriene (vinylallene), Spectrochim. Acta, 1974, A30, 1527-1543. [all data]

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

Pasto and Kong, 1989
Pasto, D.J.; Kong, W., Study of the substituted vinylallene-methylenecyclobutene electrocyclic equilibria. Comparison with the butadiene-cyclobutene and bisallene-bismethylenecyclobutene electrocyclic equilibria, J. Org. Chem., 1989, 54, 4028-4033. [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]

Bischof, Gleiter, et al., 1975
Bischof, P.; Gleiter, R.; Hopf, H.; Lenich, F.T., Photoelectron spectra of open chain C6H6 isomers, J. Am. Chem. Soc., 1975, 97, 5467. [all data]


Notes

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