1,2,4-Pentatriene
- Formula: C5H6
- Molecular weight: 66.1011
- IUPAC Standard InChIKey: FNQQBQSISCLVNQ-UHFFFAOYSA-N
- CAS Registry Number: 10563-01-6
- Chemical structure:
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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 |
---|---|---|---|
11.50 | 100. | Klaboe P., 1974 | |
16.68 | 200. | ||
22.27 | 300. | ||
27.531 | 400. | ||
32.029 | 500. | ||
35.801 | 600. | ||
38.960 | 700. | ||
41.649 | 800. | ||
43.960 | 900. | ||
45.949 | 1000. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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: 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
By formula: C5H6 = C5H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.9 ± 0.6 | kcal/mol | Eqk | Roth, Hopf, et al., 1994 | gas phase; At 490 K |
ΔrH° | -0.87 | kcal/mol | Eqk | Pasto and Kong, 1989 | liquid phase |
By formula: C5H6 = C5H6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.3 ± 1.9 | kcal/mol | Eqk | Roth, Hopf, et al., 1994 | gas 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 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
8.88 | PE | Bischof, Gleiter, et al., 1975 | LLK |
8.88 | PE | Bischof, Gleiter, et al., 1975 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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