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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Mass spectrum (electron ionization), 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° | 30.0 ± 0.1 | kcal/mol | ME | Ribeiro da Silva, Monte, et al., 2006 | Based on data from 390. to 410. K.; AC |
ΔsubH° | 30.3 ± 0.1 | kcal/mol | ME | Ribeiro da Silva, Ferrão, et al., 1999 | Based on data from 389. to 409. K.; AC |
ΔsubH° | 31.00 ± 0.50 | kcal/mol | QR | Ribeiro da Silva, Ferrão, et al., 1999 | Based on data from 373. to 393. K.; AC |
ΔsubH° | 29.8 ± 1.4 | kcal/mol | ME | Burkinshaw and Mortimer, 1984 | Based on data from 353. to 388. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.8 | 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 (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
498. to 699.7 | 5.45396 | 4379.569 | 26.839 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.3 ± 0.1 | 400. | ME | Ribeiro da Silva, Monte, et al., 2006 | Based on data from 390. to 410. K.; AC |
29.1 ± 0.1 | 399. | ME | Ribeiro da Silva, Ferrão, et al., 1999 | Based on data from 389. to 409. K.; AC |
30.00 ± 0.50 | 382. | QR | Ribeiro da Silva, Ferrão, et al., 1999 | Based on data from 373. to 393. K.; AC |
28.6 ± 1.3 | 370. | ME | Burkinshaw and Mortimer, 1984 | Based on data from 353. to 388. K.; AC |
27.61 | 398. | N/A | Inokuchi, Shiba, et al., 1952 | See also Jones, 1960.; AC |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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-2930 |
NIST MS number | 231646 |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.