[18]-Annulene
- Formula: C18H18
- Molecular weight: 234.3355
- IUPAC Standard InChI: InChI=1S/C18H18/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-18H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7+,10-8+,11-9+,12-10+,13-11-,14-12-,15-13+,16-14+,17-15+,18-16+,18-17-
- IUPAC Standard InChIKey: STQWAGYDANTDNA-DWSNDWDZSA-N
- CAS Registry Number: 2040-73-5
- 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: (1,3,5,7,9,11,13,15,17)-Cyclooctadecanonaene
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Condensed 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 39.0 ± 4.0 | kcal/mol | Ccb | Beezer, Mortimer, et al., 1965 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2346.8 ± 4.0 | kcal/mol | Ccb | Beezer, Mortimer, et al., 1965 | Corresponding ΔfHºsolid = 39.0 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics 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:
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 |
|---|---|---|---|
| 6.60 | PE | Baumann, Bunzli, et al., 1982 | LBLHLM |
| 7.23 | PE | Baumann, Bunzli, et al., 1982 | Vertical value; LBLHLM |
References
Go To: Top, Condensed 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.
Beezer, Mortimer, et al., 1965
Beezer, A.E.; Mortimer, C.T.; Springall, H.D.; Sondheimer, F.; Wolovsky, R.,
33. The heat of combustion of cyclo-octadecanonaene ([18]annulene),
J. Chem. Soc., 1965, 216-220. [all data]
Baumann, Bunzli, et al., 1982
Baumann, H.; Bunzli, J.-C.; Oth, J.F.M.,
58. The photoelectron spectrum of [18]annulene,
Helv. Chim. Acta, 1982, 65, 582. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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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