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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Condensed phase thermochemistry data
Go To: Top, Phase change data, 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 | -19.1 ± 0.50 | kcal/mol | Ccr | Watik and Sabbah, 1991 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1639.2 ± 0.45 | kcal/mol | Ccr | Watik and Sabbah, 1991 | Corresponding ΔfHºsolid = -19.1 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:
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° | 25.4 ± 0.2 | kcal/mol | GS | Verevkin, 1998 | AC |
ΔsubH° | 24.69 | kcal/mol | N/A | El Watik and Sabbah, 1991 | See also Sabbah and Watik, 1992.; AC |
ΔsubH° | 24.69 ± 0.15 | kcal/mol | C | Watik and Sabbah, 1991 | ALS |
ΔsubH° | 24.69 | kcal/mol | N/A | Watik and Sabbah, 1991 | DRB |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
247.9207 | 298.15 | N/A | Sabbah and El Watik, 1992 | DH |
23.8 | 354. | C | El Watik and Sabbah, 1991 | AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.4054 | 429. | Sabbah and El Watik, 1992 | Slight decomposition at melting.; DH |
6.4054 | 429. | El Watik and Sabbah, 1991, 2 | DH |
6.41 | 429. | Domalski and Hearing, 1996 | Some decomposition upon melting; AC |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C14H10O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.82 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.80 | PE | Traven, Safronov, et al., 1991 | LL |
8.83 ± 0.03 | PI | Potapov, Kardash, et al., 1972 | LLK |
8.83 ± 0.03 | PI | Potapov and Sorokin, 1971 | LLK |
9.43 | EI | Gillis, Long, et al., 1968 | RDSH |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
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]
Traven, Safronov, et al., 1991
Traven, V.F.; Safronov, A.I.; Chibisova, T.A.,
Electronic structure of π systems. IX. Photoelectron spectra of benzanthrone, dibenzo[b,def]chrysene-7,14-dione, and anthanthrone and their analogs,
J. Gen. Chem. USSR, 1991, 61, 697. [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]
Gillis, Long, et al., 1968
Gillis, R.G.; Long, G.J.; Moritz, A.G.; Occolowitz, J.L.,
Energetics of the electron-impact fragmentation of alkoxybenzenes and alkylthiobenzenes,
Org. Mass Spectrom., 1968, 1, 527. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid 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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