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
View 3d structure (requires JavaScript / HTML 5) - Other names: 1,6-Methano[10]annulene
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 301. to 302. | K | N/A | Buckingham and Donaghy, 1982 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 60.75 | kJ/mol | V | Bremser, Hagen, et al., 1969 | ALS |
| ΔvapH° | 61.0 | kJ/mol | N/A | Bremser, Hagen, et al., 1969 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 341. to 345. | 0.001 | Buckingham and Donaghy, 1982 | BS |
Gas phase ion energetics 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C11H10+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.7 | PE | Andrea, Cerfontain, et al., 1984 | LBLHLM |
| 7.92 | PE | Andrea, Cerfontain, et al., 1984 | Vertical value; LBLHLM |
| 7.90 | PE | Boschi, Schmidt, et al., 1972 | Vertical value; LLK |
References
Go To: Top, 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.
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [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]
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]
Boschi, Schmidt, et al., 1972
Boschi, R.; Schmidt, W.; Gfeller, J.-C.,
The electronic structure of 1,6-methano-cyclodecapentaene,
Tetrahedron Lett., 1972, 40, 4107. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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