Cyclooctene
- Formula: C8H14
- Molecular weight: 110.1968
- IUPAC Standard InChIKey: URYYVOIYTNXXBN-UHFFFAOYSA-N
- CAS Registry Number: 931-88-4
- 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. - Stereoisomers:
- Other names: (Z)-Cyclooctene
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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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
36.52 | 50. | Dorofeeva O.V., 1986 | |
52.28 | 100. | ||
72.30 | 150. | ||
93.70 | 200. | ||
129.65 | 273.15 | ||
142.9 ± 6.0 | 298.15 | ||
143.90 | 300. | ||
196.93 | 400. | ||
244.05 | 500. | ||
283.39 | 600. | ||
316.03 | 700. | ||
343.35 | 800. | ||
366.44 | 900. | ||
386.08 | 1000. | ||
402.84 | 1100. | ||
417.21 | 1200. | ||
429.55 | 1300. | ||
440.18 | 1400. | ||
449.39 | 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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.8 | PE | Batich, Bischof, et al., 1973 | LLK |
9.02 | PE | Hentrich, Gunkel, et al., 1974 | Vertical value; LLK |
De-protonation reactions
By formula: C8H13- + H+ = C8H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1617. ± 21. | kJ/mol | G+TS | Lee and Squires, 1986 | gas phase; Between H2O, MeOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1586. ± 21. | kJ/mol | IMRB | Lee and Squires, 1986 | gas phase; Between H2O, MeOH; B |
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., 1986
Dorofeeva O.V.,
Thermodynamic properties of twenty-one monocyclic hydrocarbons,
J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]
Batich, Bischof, et al., 1973
Batich, C.; Bischof, P.; Heilbronner, E.,
The photoelectron spectra of cyclooctatetraene and its hydrogenated derivatives,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 333. [all data]
Hentrich, Gunkel, et al., 1974
Hentrich, G.; Gunkel, E.; Klessinger, M.,
Photoelektronenspektren organischer verbindungen. 4. Photoelektronenspektren ungesattigter carbonylverbindungen,
J. Mol. Struct., 1974, 21, 231. [all data]
Lee and Squires, 1986
Lee, R.E.; Squires, R.R.,
Anionic homoaromaticity: A gas phase experimental study,
J. Am. Chem. Soc., 1986, 105, 5078. [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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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