11-Oxabicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
- Formula: C10H8O
- Molecular weight: 144.1699
- IUPAC Standard InChI: InChI=1S/C10H8O/c1-2-6-10-8-4-3-7-9(5-1)11-10/h1-8H
- IUPAC Standard InChIKey: JHMIUVIYZGGKFX-UHFFFAOYSA-N
- CAS Registry Number: 4759-11-9
- 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 200. ± 5.0 | kJ/mol | Ccb | Bremser, Hagen, et al., 1969 | Hfusion =4.67±0.10 |
Condensed 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 120. ± 3. | kJ/mol | Ccb | Bremser, Hagen, et al., 1969 | Hfusion =4.67±0.10 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -5197.95 | kJ/mol | Ccb | Bremser, Hagen, et al., 1969 | Hfusion =4.67±0.10; Corresponding ΔfHºsolid = 119.5 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 80.0 | kJ/mol | N/A | Bremser, Hagen, et al., 1969 |
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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.9 | PE | Andrea, Cerfontain, et al., 1984 | LBLHLM |
| 8.14 | PE | Andrea, Cerfontain, et al., 1984 | Vertical value; LBLHLM |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
Bremser, Hagen, et al., 1969
Bremser, W.; Hagen, R.; Heilbronner, E.; Vogel, E.,
48. Die Bildungsenthalpie 1,6-uberbruckter [10]Annulene,
Helv. Chim. Acta, 1969, 52, 418-431. [all data]
Andrea, Cerfontain, et al., 1984
Andrea, R.R.; Cerfontain, H.; Lamberchts, H.J.A.; Louwen, J.N.; Oskam, A.,
He I and He II photoelectron spectra and CNDO/S and MNDO MO calculations of some bridged [10] annulenes,
J. Am. Chem. Soc., 1984, 106, 2531. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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