5,6,11,12-Tetraphenylnaphthacene
- Formula: C42H28
- Molecular weight: 532.6717
- IUPAC Standard InChI: InChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H
- IUPAC Standard InChIKey: YYMBJDOZVAITBP-UHFFFAOYSA-N
- CAS Registry Number: 517-51-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Rubrene; Naphthacene, 5,6,11,12-tetraphenyl-; Rubren; 5,6,11,12-Tetraphenyltetracene
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Condensed phase thermochemistry data
Go To: Top, 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.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 620. ± 22. | kJ/mol | Review | Roux, Temprado, et al., 2008 | There are insufficient literature values to properly evaluated the data and measurements are of low quality and/or there is substantial disagreement with values predicted using thermochemical cycles or estimation methods (trends).; DRB |
| ΔfH°solid | 620. ± 21. | kJ/mol | Ccb | Enderlin, 1938 | Reanalyzed by Cox and Pilcher, 1970, Original value = 614.25 kJ/mol; %hf298 calculated possible error by the author; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -21149. ± 21. | kJ/mol | Ccb | Enderlin, 1938 | Reanalyzed by Cox and Pilcher, 1970, Original value = -21143. kJ/mol; %hf298 calculated possible error by the author; Corresponding ΔfHºsolid = 620.24 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
References
Go To: Top, Condensed phase thermochemistry 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]
Enderlin, 1938
Enderlin, M.,
Contribution a l'etude de la dissociabilite des oxydes organiques. Sur quelques transformations des tetraarylnaphtacenes et de leurs oxyde,
Ann. Chim., 1938, 10, 5-116. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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