9,10-Phenanthrenedione
- Formula: C14H8O2
- Molecular weight: 208.2121
- IUPAC Standard InChIKey: YYVYAPXYZVYDHN-UHFFFAOYSA-N
- CAS Registry Number: 84-11-7
- 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: Phenanthrenequinone; Phenanthraquinone; Phenanthrene, 9,10-dihydro-9,10-dioxo-; 9,10-Phenanthraquinone; 9,10-Phenanthrenequinone; Phenanthroquinone; 9,10-Phenanthroquinone
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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 | -11.1 ± 0.67 | kcal/mol | Ccb | Ribeiro Da Silva, Ribeiro Da Silva, et al., 1989 |
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 | -36.97 ± 0.57 | kcal/mol | Ccb | Ribeiro Da Silva, Ribeiro Da Silva, et al., 1989 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1553.01 ± 0.38 | kcal/mol | Ccb | Ribeiro Da Silva, Ribeiro Da Silva, et al., 1989 | Corresponding ΔfHºsolid = -36.962 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -1534.695 | kcal/mol | Ccb | Magnus, 1956 | Corresponding ΔfHºsolid = -55.281 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -1544.0 | kcal/mol | Ccb | Swietoslawski and Starczedska, 1925 | Corresponding ΔfHºsolid = -46.0 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 481.15 | K | N/A | Pitt and Smyth, 1959 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 25.84 ± 0.36 | kcal/mol | C | Ribeiro Da Silva, Ribeiro Da Silva, et al., 1989 | ALS |
ΔsubH° | 25.84 | kcal/mol | N/A | Ribeiro Da Silva, Ribeiro Da Silva, et al., 1989 | DRB |
ΔsubH° | 21.9 | kcal/mol | C | Magnus, 1956 | ALS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
25.84 | 289. | C | Ribeiro Da Silva, Ribeiro Da Silva, et al., 1989 | AC |
31.5 | 383. | N/A | Magnus, 1956 | See also Cox and Pilcher, 1970.; 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
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.64 ± 0.03 | PI | Potapov and Sorokin, 1971 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLID (1.0% IN KBr PELLET); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLID (MINERAL OIL MULL); Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-1 | 1935. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 362.7 | Knobloch and Engewald, 1993 | 40. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Capillary | OV-101 | 362.04 | Blanco, Blanco, et al., 1989 | H2, 4. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 50. C; Tend: 300. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 360.3 | Helmig and Harger, 1994 | He; Column length: 60. m; Column diameter: 0.248 mm; Program: 50C (2min) => 25C/min => 150C => 4C/min => 325C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro Da Silva, Ribeiro Da Silva, et al., 1989
Ribeiro Da Silva, M.A.V.; Ribeiro Da Silva, D.M.C.; Teixeira, J.A.S.,
Enthalpies of combustion of 1,4-naphthoquinone, 9,10-anthraquinone, 9,10-phenanthraquinone, 1,4,9,10-anthradiquinone, 5,8-dihydroxy-1,4-naphthoquinone, and 1,4-dihydroxy-9,10-anthraquinone,
J. Chem. Thermodyn., 1989, 21, 265-274. [all data]
Magnus, 1956
Magnus, A.,
Die resonanzenergien der parachinone Aui grund der prazisionsmessungsen ihrer verbrennungswarmen durch herrn gerhard wittwer,
Z. Phys. Chem. (Neue Folge), 1956, 9, 141-161. [all data]
Swietoslawski and Starczedska, 1925
Swietoslawski, W.; Starczedska, H.,
Correction des donnees thermochimiques de M.A. Valeur,
J. Chem. Phys., 1925, 22, 399-401. [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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [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]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Knobloch and Engewald, 1993
Knobloch, T.; Engewald, W.,
Identification of some polar polycyclic compounds in emissions from brown-coal-fired residential stoves,
J. Hi. Res. Chromatogr., 1993, 16, 4, 239-242, https://doi.org/10.1002/jhrc.1240160407
. [all data]
Blanco, Blanco, et al., 1989
Blanco, C.G.; Blanco, J.; Bermejo, J.; Guillen, M.D.,
Capillary gas chromatography of some polycyclic aromatic compounds on several stationary phases,
J. Chromatogr., 1989, 465, 3, 378-385, https://doi.org/10.1016/S0021-9673(01)92675-5
. [all data]
Helmig and Harger, 1994
Helmig, D.; Harger, W.P.,
OH radical-initiated gas-phase reaction products of phenanthrene,
Sci. Total Environ., 1994, 148, 1, 11-21, https://doi.org/10.1016/0048-9697(94)90368-9
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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 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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