Ovalene
- Formula: C32H14
- Molecular weight: 398.4536
- IUPAC Standard InChIKey: LSQODMMMSXHVCN-UHFFFAOYSA-N
- CAS Registry Number: 190-26-1
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.38 | 50. | Dorofeeva O.V., 1988 | Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986, Moiseeva N.F., 1989]). These functions are reproduced in the reference book [ Frenkel M., 1994]. |
24.455 | 100. | ||
39.049 | 150. | ||
55.313 | 200. | ||
79.957 | 273.15 | ||
88.2 ± 1.9 | 298.15 | ||
88.848 | 300. | ||
119.54 | 400. | ||
145.06 | 500. | ||
165.42 | 600. | ||
181.56 | 700. | ||
194.46 | 800. | ||
204.92 | 900. | ||
213.48 | 1000. | ||
220.57 | 1100. | ||
226.50 | 1200. | ||
231.49 | 1300. | ||
235.72 | 1400. | ||
239.331 | 1500. |
Gas phase ion energetics data
Go To: Top, Gas 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
6.71 | PE | Clar, Robertson, et al., 1981 | LLK |
6.86 ± 0.01 | PE | Boschi, Murrell, et al., 1972 | LLK |
7.2 ± 0.1 | EI | Gallegos, 1968 | RDSH |
7.01 | CTS | Kuroda, 1964 | RDSH |
6.71 | PE | Clar and Schmidt, 1977 | Vertical value; LLK |
References
Go To: Top, Gas phase 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.
Dorofeeva O.V., 1988
Dorofeeva O.V.,
Thermodynamic Properties of Polycyclic Aromatic Hydrocarbons in the Gaseous Phase. Institute for High Temperatures, USSR Academy of Sciences, Preprint No.1-238 (in Russian), Moscow, 1988. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons,
Thermochim. Acta, 1986, 102, 59-66. [all data]
Moiseeva N.F., 1989
Moiseeva N.F.,
Development of Benson group additivity method for estimation of ideal gas thermodynamic properties of polycyclic aromatic hydrocarbons,
Thermochim. Acta, 1989, 153, 77-85. [all data]
Frenkel M., 1994
Frenkel M.,
Thermodynamics of Organic Compounds in the Gas State, Vol. I, II, Thermodynamics Research Center, College Station, Texas, 1994, 1994. [all data]
Clar, Robertson, et al., 1981
Clar, E.; Robertson, J.M.; Schlogl, R.; Schmidt, W.,
Photoelectron spectra of polynuclear aromatics. 6. Application to structural elucidation: 'Circumanthracene',
J. Am. Chem. Soc., 1981, 103, 1320. [all data]
Boschi, Murrell, et al., 1972
Boschi, R.; Murrell, J.N.; Schmidt, W.,
Photoelectron spectra of polycyclic aromatic hydrocarbons,
Faraday Discuss. Chem. Soc., 1972, 54, 116. [all data]
Gallegos, 1968
Gallegos, E.J.,
Mass spectrometry and ionization energies of some condensed-ring aromatic and heterocyclic compounds,
J. Phys. Chem., 1968, 72, 3452. [all data]
Kuroda, 1964
Kuroda, H.,
Ionization potentials of polycyclic aromatic hydrocarbons,
Nature, 1964, 201, 1214. [all data]
Clar and Schmidt, 1977
Clar, E.; Schmidt, W.,
Correlations between photoelectron and ultraviolet absorption spectra of polycyclic hydrocarbons. The perylene, coronene and bisanthene series,
Tetrahedron, 1977, 33, 2093. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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