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
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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°gas | 23.4 ± 2.2 | kJ/mol | Ccr | Watik and Sabbah, 1991 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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
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 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas Chromatography, 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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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 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 1904. | Oda, Yasuhara, et al., 1998 | 25. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 20 0C/min -> 160 0C 5 0C/min -> 210 0C 10 0C/min -> 300 0C |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 298.4 | Wang, Hou, et al., 2007 | 30. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | HP-5 | 297. | Shao, Wang, et al., 2006 | 30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | HP-5 | 328.09 | Pedersen, Durant, et al., 2005 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min |
Capillary | SPB-5 | 331.0 | Knobloch and Engewald, 1993 | 40. C @ 2. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Capillary | SE-52 | 330.53 | Boenke and Ballschmiter, 1987 | Hydrogen, 3. K/min; Column length: 12. m; Tstart: 120. C; Tend: 285. C |
Capillary | SE-52 | 331.39 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
Capillary | SE-52 | 330.53 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-5 | 330.1 | Kelly, Bartle, et al., 1992 | Column length: 25. m; Column diameter: 0.32 mm; Program: XX C X C/min -> 170 C 40 C/min -> 300 C (5 min); Check the values XX and X (bad xerox copy) |
Capillary | OV-101 | 332.6 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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]
Oda, Yasuhara, et al., 1998
Oda, J.; Yasuhara, A.; Matsunaga, K.; Saito, Y.,
Identification of polycyclic aromatic hydrocarbons of the particulate accumulated in the tunnel duct of freeway and generation of their oxygenated derivatives,
Jpn. J. Toxicol. Environ. Health, 1998, 44, 5, 334-351, https://doi.org/10.1248/jhs1956.44.334
. [all data]
Wang, Hou, et al., 2007
Wang, G.; Hou, Z.; Sun, Y.; Liu, Y.; Xie, B.; Liu, S.,
Investigation of pyrolysis behavior of fenoxycarb using PY-GC-MS assisted with chemometric methods,
Chem. Anal., 2007, 52, 141-156. [all data]
Shao, Wang, et al., 2006
Shao, X.; Wang, G.; Sun, Y.; Zhang, R.; Xie, K.; Liu, H.,
Determination and Characterization of the Pyrolysis Products of Isoprocarb by GC-MS,
J. Chromatogr. Sci., 2006, 44, 3, 141-147, https://doi.org/10.1093/chromsci/44.3.141
. [all data]
Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R.,
Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds.,
Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c
. [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]
Boenke and Ballschmiter, 1987
Boenke, A.; Ballschmiter, K.,
Fused quinones as retention index marker in high resolution gas chromatography with electron-capture detection (HRGC/ECD) of oxidized aromatic compounds,
Fresenius J. Anal. Chem., 1987, 327, 1, 44-45, https://doi.org/10.1007/BF00474554
. [all data]
Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L.,
Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices,
J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1
. [all data]
Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M.,
Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons,
Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043
. [all data]
Kelly, Bartle, et al., 1992
Kelly, G.W.; Bartle, K.D.; Clifford, A.A.; Robinson, R.E.,
Application of coupled LC-GC to the analysis of the polar fraction of diesel particulate matter,
J. Hi. Res. Chromatogr., 1992, 15, 8, 526-530, https://doi.org/10.1002/jhrc.1240150808
. [all data]
Tucminen, Wickstrom, et al., 1986
Tucminen, A.; Wickstrom, K.; Pyysalo, H.,
Determination of Polycyclic Aromatic Compounds by GLC-Selected Ion Monitoring (SIM) Technique,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 469-471, https://doi.org/10.1002/jhrc.1240090813
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas 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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