Anthrone
- Formula: C14H10O
- Molecular weight: 194.2286
- IUPAC Standard InChIKey: RJGDLRCDCYRQOQ-UHFFFAOYSA-N
- CAS Registry Number: 90-44-8
- 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: 9(10H)-Anthracenone; Anthracene, 9,10-dihydro-9-oxo-; Carbothrone; (10H)-9-Anthracenone; 9,10-Dihydro-9-oxoanthracene
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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 | 23.4 ± 2.2 | kJ/mol | Ccr | Watik and Sabbah, 1991 |
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 | -79.9 ± 2.1 | kJ/mol | Ccr | Watik and Sabbah, 1991 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -6858.4 ± 1.9 | kJ/mol | Ccr | Watik and Sabbah, 1991 | Corresponding ΔfHºsolid = -79.9 kJ/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:
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.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 428.15 | K | N/A | Pitt and Smyth, 1959 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 106.1 ± 0.8 | kJ/mol | GS | Verevkin, 1998 | AC |
ΔsubH° | 103.3 | kJ/mol | N/A | El Watik and Sabbah, 1991 | See also Sabbah and Watik, 1992.; AC |
ΔsubH° | 103.32 ± 0.63 | kJ/mol | C | Watik and Sabbah, 1991 | ALS |
ΔsubH° | 103.3 | kJ/mol | N/A | Watik and Sabbah, 1991 | DRB |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
1037.300 | 298.15 | N/A | Sabbah and El Watik, 1992 | DH |
99.6 | 354. | C | El Watik and Sabbah, 1991 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.800 | 429. | Sabbah and El Watik, 1992 | Slight decomposition at melting.; DH |
26.800 | 429. | El Watik and Sabbah, 1991, 2 | DH |
26.8 | 429. | Domalski and Hearing, 1996 | Some decomposition upon melting; AC |
IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
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 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, UV/Visible 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: 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- 296 |
NIST MS number | 228511 |
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.
Spectrum
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Additional Data
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Source | Bolshakov, et al., 1969 |
---|---|
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. 20223 |
Instrument | unknown |
Melting point | 155 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
Watik and Sabbah, 1991
Watik, L.E.; Sabbah, R.,
Etude thermodynamique de la coumarine et de l'anthrone,
Bull. Soc. Chim. Fr., 1991, 128, 344-349. [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]
Verevkin, 1998
Verevkin, S.P.,
Thermochemistry of aromatic ketones. Experimental enthalpies of formation and structural effects,
Thermochim. Acta, 1998, 310, 229-235. [all data]
El Watik and Sabbah, 1991
El Watik, L.; Sabbah, R.,
Thermodynamic study of coumarin and anthrone,
Bull. Soc. Chim. Fr., 1991, 344. [all data]
Sabbah and Watik, 1992
Sabbah, R.; Watik, L. El,
Thermodynamic study of anthrone, coumarin and phenazine,
Journal of Thermal Analysis, 1992, 38, 4, 803-809, https://doi.org/10.1007/BF01979412
. [all data]
Sabbah and El Watik, 1992
Sabbah, R.; El Watik, L.,
Thermodynamic study of anthrone, counmarin and phenazine,
J. Therm. Anal., 1992, 38, 803-809. [all data]
El Watik and Sabbah, 1991, 2
El Watik, L.; Sabbah, R.,
Thermodynamic study of coumarin and anthrone,
Bull. Soc. Chim. France, 1991, 128, 344-349. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Bolshakov, et al., 1969
Bolshakov, G.F., et al.,
Ultraviolet Spectra of Heteroorganic Compounds, 1969, 276. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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