Cyclooctanone
- Formula: C8H14O
- Molecular weight: 126.1962
- IUPAC Standard InChIKey: IIRFCWANHMSDCG-UHFFFAOYSA-N
- CAS Registry Number: 502-49-8
- Chemical structure:
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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 | -77.9 ± 1.2 | kcal/mol | Ccb | Ruzieka and Schlapfer, 1933 | Heat of formation derived by Cox and Pilcher, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -77.03 ± 0.39 | kcal/mol | Ccb | Wolf, 1972 | Hfusion=0.655±0.025 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1153.34 ± 0.38 | kcal/mol | Ccb | Wolf, 1972 | Hfusion=0.655±0.025 kcal/mol; Corresponding ΔfHºsolid = -77.275 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -1152.7 ± 1.2 | kcal/mol | Ccb | Ruzieka and Schlapfer, 1933 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1152. kcal/mol; Corresponding ΔfHºsolid = -77.91 kcal/mol (simple calculation by NIST; no Washburn corrections) |
IR Spectrum
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ruzieka and Schlapfer, 1933
Ruzieka, L.; Schlapfer, P.,
Zur kenntnis des kohlenstoffringes XXII. Uber die verbrennungswarme bei hochgliedrigen ringverbindungen,
Helv. Chim. Acta, 1933, 16, 162-169. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Wolf, 1972
Wolf, G.,
Thermochemische Untersuchungen an cyclischen Ketonen,
Helv. Chim. Acta, 1972, 55, 1446-1459. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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