Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
- Formula: C11H10
- Molecular weight: 142.1971
- IUPAC Standard InChI: InChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H2
- IUPAC Standard InChIKey: OORRQYZWSVJKSO-UHFFFAOYSA-N
- CAS Registry Number: 2443-46-1
- 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: 1,6-Methano[10]annulene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Gas phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 323. | kJ/mol | Chyd | Roth, Klarner, et al., 1992 | see Roth, Bohm, et al., 1983; ALS |
| ΔfH°gas | 315. ± 3. | kJ/mol | Ccb | Bremser, Hagen, et al., 1969 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 47.40 | 100. | Espinosa-Muller A., 1978 | These values were calculated by a method of force field; their uncertainties may exceed 5-10 J/mol*K.; GT |
| 92.80 | 200. | ||
| 144.98 | 298.15 | ||
| 145.94 | 300. | ||
| 196.94 | 400. | ||
| 241.50 | 500. | ||
| 278.49 | 600. | ||
| 309.16 | 700. | ||
| 334.76 | 800. | ||
| 356.27 | 900. | ||
| 374.43 | 1000. |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | 254. ± 2. | kJ/mol | Ccb | Bremser, Hagen, et al., 1969 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -6011.99 | kJ/mol | Ccb | Bremser, Hagen, et al., 1969 | Corresponding ΔfHºliquid = 254.2 kJ/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Gas phase thermochemistry data, 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.
Roth, Klarner, et al., 1992
Roth, W.R.; Klarner, F.-G.; Siepert, G.; Lennartz, H.-W.,
Zur Frage der Homoaromatizitat von Norcaradien und Cycloheptatrien,
Chem. Ber., 1992, 125, 217-224. [all data]
Roth, Bohm, et al., 1983
Roth, W.R.; Bohm, M.; Lenhartz, H-W.; Vogel, E.,
Heats of hydrogenation. Part 5. Resonance energy of bridged [10]annulenes,
Angew. Chem., 1983, 95, 1011-1012. [all data]
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]
Espinosa-Muller A., 1978
Espinosa-Muller A.,
Conformational and thermodynamical prediction of the 1,5-methano(10)-annulene, 1,6-methano(10)-annulene, and some benzo derivatives,
J. Chem. Phys., 1978, 69, 367-372. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.