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Dibenzoylmethane

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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
Deltafgas-109.2 ± 2.0kJ/molCmRibeiro da Silva and Monte, 1992 

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
Deltafsolid-228. ± 12.kJ/molCcbFarrar and Jones, 1964 
Deltafsolid-222.3kJ/molCcbParks and Mosher, 1962 
Deltafsolid-241.kJ/molCcbMoureu, 1930 
Quantity Value Units Method Reference Comment
Deltacsolid-7393. ± 2.kJ/molCcbKozina, Shigorin, et al., 1965Corresponding «DELTA»fsolid = -225. kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-7386.0 ± 4.6kJ/molCcbFarrar and Jones, 1964Corresponding «DELTA»fsolid = -231.7 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-7395. ± 3.kJ/molCcbParks and Mosher, 1962Corresponding «DELTA»fsolid = -222.2 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-7410.kJ/molCcbMoureu, 1930Corresponding «DELTA»fsolid = -210. kJ/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:
BS - Robert L. Brown and Stephen E. Stein
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

Quantity Value Units Method Reference Comment
Tfus351.KN/AWolfrom and Bobbitt, 1956Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Deltasub113.3 ± 4.8kJ/molCRibeiro da Silva and Santos, 2004AC
Deltasub115.7 ± 0.9kJ/molVRibeiro da Silva and Monte, 1992crystal phase; ALS
Deltasub115.7 ± 0.9kJ/molMERibeiro da Silva and Monte, 1992AC
Deltasub50.2kJ/molEFarrar and Jones, 1964ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
493.20.024Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
60.1375.AStephenson and Malanowski, 1987Based on data from 368. - 383. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
8.3PEMcAlduff and Bunbury, 1979LLK
8.45 ± 0.05PEMcAlduff and Bunbury, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C9H7O2+10.59C6H5ESTTakhistov and Ponomarev, 1994LL
C9H7O2+11.73C6H5EITakhistov and Ponomarev, 1994Unpublished result of N.S.Khlebnikova, V.M.Orlov, D.A.Ponomarev, and V.V.Takhistov; LL

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

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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

Spectrum

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Mass 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-2252
NIST MS number 227988

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lang (editor), 1961
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19756
Instrument Beckman Model DU
Melting point 78

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ribeiro da Silva and Monte, 1992
Ribeiro da Silva, M.A.V.; Monte, M.J.S., Vapour pressures and standard molar enthalpies of sublimation of four crystalline B-diketones, J. Chem. Thermodyn., 1992, 24, 1219-1228. [all data]

Farrar and Jones, 1964
Farrar, D.T.; Jones, M.M., Heats of combustion and bond energies in some octahedral iron(III) complexes with «beta»-diketones, J. Phys. Chem., 1964, 68, 1717-1721. [all data]

Parks and Mosher, 1962
Parks, G.S.; Mosher, H.P., Heats of combustion and formation of seven organic compounds containing oxygen, J. Chem. Phys., 1962, 37, 919-920. [all data]

Moureu, 1930
Moureu, M.H., Des sur la tautomerie des dicetones «alpha», Ann. Chem., 1930, 14, 283-405. [all data]

Kozina, Shigorin, et al., 1965
Kozina, M.P.; Shigorin, D.N.; Skoldinov, A.P.; Skuratov, S.M., Thermochemical determination of stabilization energy for quasiaromatic cycle with H-bond., Dokl. Akad. Nauk SSSR, 1965, 160, 1114-1116. [all data]

Wolfrom and Bobbitt, 1956
Wolfrom, M.L.; Bobbitt, J.M., Periodate Oxidation of Cyclic 1,3-Diketones, J. Am. Chem. Soc., 1956, 78, 2489-93. [all data]

Ribeiro da Silva and Santos, 2004
Ribeiro da Silva, Manuel A.V.; Santos, Luis M.N.B.F., Standard molar enthalpy of formation of monothiodibenzoylmethane by rotating-bomb calorimetry, The Journal of Chemical Thermodynamics, 2004, 36, 6, 447-451, https://doi.org/10.1016/j.jct.2004.02.007 . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

McAlduff and Bunbury, 1979
McAlduff, E.J.; Bunbury, D.L., Photoelectron spectra of some aromatic mono-and di-ketones, J. Electron Spectrosc. Relat. Phenom., 1979, 17, 81. [all data]

Takhistov and Ponomarev, 1994
Takhistov, V.V.; Ponomarev, D.A., Isodesmic reactions and thermochemistry of ions, Org. Mass Spectrom., 1994, 29, 395. [all data]

Lang (editor), 1961
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1961, 2, 257. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References