7H-Benz[de]anthracen-7-one
- Formula: C17H10O
- Molecular weight: 230.2607
- IUPAC Standard InChIKey: HUKPVYBUJRAUAG-UHFFFAOYSA-N
- CAS Registry Number: 82-05-3
- 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: Benzanthrenone; Benzanthrone; Naphthanthrone; 7-Oxobenz[de]anthracene; 7H-Benz[de]anthracene-7-one; 1,9-Benz-10-anthrone; Dye, benzanthrone; Ms-Benzanthrone; 7H-Benzo(de)anthracen-7-one; Benzoanthrone; NSC 5189; NSC 631641; benz[de]anthracen-7-one; Benzanthone
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Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 446.13 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 446.25 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 125.6 ± 0.6 | kJ/mol | ME | Ribeiro da Silva, Monte, et al., 2006 | Based on data from 390. to 410. K.; AC |
ΔsubH° | 126.6 ± 0.6 | kJ/mol | ME | Ribeiro da Silva, Ferrão, et al., 1999 | Based on data from 389. to 409. K.; AC |
ΔsubH° | 129.7 ± 2.1 | kJ/mol | QR | Ribeiro da Silva, Ferrão, et al., 1999 | Based on data from 373. to 393. K.; AC |
ΔsubH° | 124.6 ± 6.0 | kJ/mol | ME | Burkinshaw and Mortimer, 1984 | Based on data from 353. to 388. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
91.4 | 513. | A | Stephenson and Malanowski, 1987 | Based on data from 498. to 673. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
498. to 699.7 | 5.45967 | 4379.569 | 26.839 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
122.6 ± 0.6 | 400. | ME | Ribeiro da Silva, Monte, et al., 2006 | Based on data from 390. to 410. K.; AC |
121.6 ± 0.6 | 399. | ME | Ribeiro da Silva, Ferrão, et al., 1999 | Based on data from 389. to 409. K.; AC |
125.5 ± 2.1 | 382. | QR | Ribeiro da Silva, Ferrão, et al., 1999 | Based on data from 373. to 393. K.; AC |
119.7 ± 5.4 | 370. | ME | Burkinshaw and Mortimer, 1984 | Based on data from 353. to 388. K.; AC |
115.5 | 398. | N/A | Inokuchi, Shiba, et al., 1952 | See also Jones, 1960.; AC |
Gas phase ion energetics data
Go To: Top, 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 compiled by: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.00 | PE | Traven, Safronov, et al., 1991 |
References
Go To: Top, 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.
Witschonke, 1954
Witschonke, C.R.,
Freezing point and purity data for some organic compounds,
Anal. Chem., 1954, 26, 562-4. [all data]
Ribeiro da Silva, Monte, et al., 2006
Ribeiro da Silva, Manuel A.V.; Monte, Manuel J.S.; Santos, Luís M.N.B.F.,
The design, construction, and testing of a new Knudsen effusion apparatus,
The Journal of Chemical Thermodynamics, 2006, 38, 6, 778-787, https://doi.org/10.1016/j.jct.2005.08.013
. [all data]
Ribeiro da Silva, Ferrão, et al., 1999
Ribeiro da Silva, Manuel A.V.; Ferrão, M. Luísa C.C.H.; Monte, Manuel J.S.; Gonçalves, Jorge M.; Jiye, Fang,
Standard molar enthalpy of formation, vapour pressures, and standard molar enthalpy of sublimation of benzanthrone,
The Journal of Chemical Thermodynamics, 1999, 31, 8, 1067-1075, https://doi.org/10.1006/jcht.1999.0516
. [all data]
Burkinshaw and Mortimer, 1984
Burkinshaw, Philip M.; Mortimer, Colin T.,
Enthalpies of sublimation of transition metal complexes,
J. Chem. Soc., Dalton Trans., 1984, 1, 75, https://doi.org/10.1039/dt9840000075
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Inokuchi, Shiba, et al., 1952
Inokuchi, Hiroo; Shiba, Sukekuni; Handa, Takashi; Akamatu, Hideo,
Heats of Sublimation of Condensed Polynuclear Aromatic Hydrocarbons,
Bull. Chem. Soc. Jpn., 1952, 25, 5, 299-302, https://doi.org/10.1246/bcsj.25.299
. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tfus Fusion (melting) point 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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