Pyracyclene
- Formula: C14H8
- Molecular weight: 176.2133
- IUPAC Standard InChIKey: SFPDOMBOFWSXDM-UHFFFAOYSA-N
- CAS Registry Number: 187-78-0
- Chemical structure:
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Condensed phase thermochemistry data
Go To: Top, Phase change 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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 77.77 ± 0.86 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol. |
Phase change data
Go To: Top, Condensed 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:
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 19.9 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are insufficient literature values to properly evaluate the data and insufficient information to construct thermochemical cycles or estimate values for comparison, and one must rely solely upon reported uncertainities and the quality of the measurements. In general, the evaluated uncertainty limits are on the order of (3 to 9) kJ/mol.; DRB |
ΔsubH° | 19.9 | kcal/mol | ME | Diogo, Kiyobayashi, et al., 2002 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
19.6 | 342. | ME | Diogo, Kiyobayashi, et al., 2002 | AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y.,
Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons,
J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]
Diogo, Kiyobayashi, et al., 2002
Diogo, Hermínio P.; Kiyobayashi, Tetsu; Minas da Piedade, Manuel E.; Burlak, Natan; Rogers, Donald W.; McMasters, Daniel; Persy, Gabriele; Wirz, Jakob; Liebman, Joel F.,
The Aromaticity of Pyracylene: An Experimental and Computational Study of the Energetics of the Hydrogenation of Acenaphthylene and Pyracylene,
J. Am. Chem. Soc., 2002, 124, 9, 2065-2072, https://doi.org/10.1021/ja012541+
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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