9H-Fluoren-9-one
- Formula: C13H8O
- Molecular weight: 180.2020
- IUPAC Standard InChIKey: YLQWCDOCJODRMT-UHFFFAOYSA-N
- CAS Registry Number: 486-25-9
- 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: Fluoren-9-one; Fluorenone; 9-Fluorenone; 9H-Fluorene-9-one
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 12.5 ± 0.55 | kcal/mol | Ccb | Sabbah, El Watik, et al., 1988 |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -8.63 ± 0.55 | kcal/mol | Ccb | Sabbah, El Watik, et al., 1988 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1487.3 ± 0.50 | kcal/mol | Ccb | Sabbah, El Watik, et al., 1988 | Corresponding ΔfHºsolid = -8.65 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 614.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 357.15 | K | N/A | Pitt and Smyth, 1959 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 355. | K | N/A | Hauser, Brasen, et al., 1956 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 22.4 ± 0.43 | kcal/mol | GS | Verevkin, 1998 | AC |
ΔsubH° | 21.1 ± 0.1 | kcal/mol | C | Sabbah, El Watik, et al., 1988 | ALS |
ΔsubH° | 21.1 | kcal/mol | N/A | Sabbah, El Watik, et al., 1988 | DRB |
ΔsubH° | 21.1 ± 0.1 | kcal/mol | C | Sabbah, Watik, et al., 1988 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.6 | 435. | Sivaraman, Martin, et al., 1983 | AC |
14.3 | 475. | Sivaraman, Martin, et al., 1983 | AC |
14.1 | 525. | Sivaraman, Martin, et al., 1983 | AC |
14.0 | 565. | Sivaraman, Martin, et al., 1983 | AC |
13.8 | 595. | Sivaraman, Martin, et al., 1983 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.9 ± 0.07 | 319. | C | Sabbah, Watik, et al., 1988 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.549 | 353.3 | DSC | Verevkin, 1998 | AC |
4.331 | 356.4 | N/A | Acree, 1991 | AC |
Gas phase ion energetics 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C13H8O+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.29 | PE | Centineo, Fragala, et al., 1978 |
8.36 ± 0.03 | PI | Potapov, Kardash, et al., 1972 |
8.36 ± 0.02 | PI | Potapov and Sorokin, 1971 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 472 |
NIST MS number | 229079 |
UV/Visible spectrum
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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 by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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Source | Bergmann, Fischer, et al., 1951 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 5655 |
Instrument | n.i.g. |
Melting point | 84 |
Boiling point | 341.5 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah, El Watik, et al., 1988
Sabbah, R.; El Watik, L.; Minadakis, C.,
Thermodynamic study of 9-fluorenone,
C. R. Acad. Sci. Paris, 1988, 307, 239-244. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Pitt and Smyth, 1959
Pitt, D.A.; Smyth, C.P.,
Microwave Absorption and Molecular Structure in Liquids XXVII. The Mutual Viscosities and Dielectric Relaxtion Times of Several Polar Aromatic Compounds in Solution,
J. Am. Chem. Soc., 1959, 81, 783. [all data]
Hauser, Brasen, et al., 1956
Hauser, C.R.; Brasen, W.R.; Skell, P.S.; Kantor, S.W.; Brodhag, A.E.,
Dimeric Oleifins versus AMins from α-Aryl Alkyl Halides with Alkali Dehydrohalogenation. Imines from Amines,
J. Am. Chem. Soc., 1956, 78, 1653-8. [all data]
Verevkin, 1998
Verevkin, S.P.,
Thermochemistry of aromatic ketones. Experimental enthalpies of formation and structural effects,
Thermochim. Acta, 1998, 310, 229-235. [all data]
Sabbah, Watik, et al., 1988
Sabbah, R.; Watik, L.E.; Minadakis, C.,
Thermodynamic study of 9-fluorenone,
C. R. Acad. Sci. Paris, Ser. III, 1988, 307, 3, 239. [all data]
Sivaraman, Martin, et al., 1983
Sivaraman, A.; Martin, R.J.; Kobayashi, Riki,
A versatile apparatus to study the vapor pressures and heats of vaporization of carbazole, 9-fluorenone and 9-hydroxyfluorene at elevated temperatures,
Fluid Phase Equilibria, 1983, 12, 1-2, 175-188, https://doi.org/10.1016/0378-3812(83)85019-5
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Centineo, Fragala, et al., 1978
Centineo, G.; Fragala, I.; Bruno, G.; Spampinato, S.,
Photoelectron spectroscopy of benzophenone, acetophenone and their ortho-alkyl derivatives,
J. Mol. Struct., 1978, 44, 203. [all data]
Potapov, Kardash, et al., 1972
Potapov, V.K.; Kardash, I.E.; Sorokin, V.V.; Sokolov, S.A.; Evlasheva, T.I.,
Photoionization of heteroaromatic compounds,
Khim. Vys. Energ., 1972, 6, 392. [all data]
Potapov and Sorokin, 1971
Potapov, V.K.; Sorokin, V.V.,
Photoionization and ion-molecule reactions in quinones and alcohols,
High Energy Chem., 1971, 5, 435, In original 487. [all data]
Bergmann, Fischer, et al., 1951
Bergmann, E.D.; Fischer, E.; Ginsburg, D.; Hirshberg, Y.; Lavie, D.; Mayot, M.; Pullman, A.; Pullman, B.,
Fulvenes et ethylenes thermochromes. 11e partie. Les heptafulvenes,
Bull. Soc. Chim. Fr., 1951, 18, 684-692. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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