Acetylacetone

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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
Δfgas-384.4 ± 1.3kJ/molCcbHacking and Pilcher, 1979Heat of enolization=-11.3±0.4 kJ/mol
Δfgas-420.1kJ/molIonConrath, Van de Sande, et al., 1974Mass spectrometery (enol)
Δfgas-376.1 ± 2.0kJ/molCmMelia and Merrifield, 1969Thermochemical cycle

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil411. ± 2.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus249.95KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple254.8KN/AMelia and Merrifield, 1969Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Δvap41.78kJ/molN/AMajer and Svoboda, 1985 
Δvap43.2 ± 0.1kJ/molVHacking and Pilcher, 1979Heat of enolization=-11.3±0.4 kJ/mol; ALS
Δvap43.2 ± 1.0kJ/molCIrving and Wads, 1970ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
412.20.995Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
39.4347.N/AMelia and Merrifield, 2007Based on data from 297. to 398. K.; AC
35.2393.A,I,EBStephenson and Malanowski, 1987Based on data from 378. to 411. K. See also Nakanishi and Toyama, 1972.; AC
42.7303.A,EBStephenson and Malanowski, 1987Based on data from 288. to 378. K.; AC
34.3411.1N/AMajer and Svoboda, 1985 
39.2322.EBRaviprasad and Venkateswara Rao, 1985Based on data from 307. to 414. K.; AC
40.6304.N/AInoue, Arai, et al., 1981Based on data from 295. to 313. 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:


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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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 19843

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References

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

Hacking and Pilcher, 1979
Hacking, J.M.; Pilcher, G., Enthalpy of combustion of pentane-2,4-dione, J. Chem. Thermodyn., 1979, 11, 1015-1017. [all data]

Conrath, Van de Sande, et al., 1974
Conrath, k.; Van de Sande, C.; Vandewalle, M., Studies in organic mass spectrometry. XVI. A combined approach to the structures of ions generated from the molecular ions of acyclic β-diketones through loss of small neutral molecules, Org. Mass Spectrom., 1974, 9, 585-593. [all data]

Melia and Merrifield, 1969
Melia, T.P.; Merrifield, R., Thermal properties of acetylacetone, J. Appl. Chem., 1969, 19, 79-82. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Irving and Wads, 1970
Irving, R.J.; Wads, I., Enthalpy of vaporization of organic compounds at 25°C. V. Acetylacetone, Acta Chem. Scand., 1970, 24, 589-592. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Melia and Merrifield, 2007
Melia, T.P.; Merrifield, R., Thermal properties of acetylacetone, J. Appl. Chem., 2007, 19, 3, 79-82, https://doi.org/10.1002/jctb.5010190305 . [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]

Nakanishi and Toyama, 1972
Nakanishi, Koichiro; Toyama, Osamu, Vapor Pressure of Acetylacetone below Normal Boiling Point, Bull. Chem. Soc. Jpn., 1972, 45, 10, 3210-3211, https://doi.org/10.1246/bcsj.45.3210 . [all data]

Raviprasad and Venkateswara Rao, 1985
Raviprasad, A.; Venkateswara Rao, K., Vapour pressure of 2,4-pentanedione, The Journal of Chemical Thermodynamics, 1985, 17, 2, 117-121, https://doi.org/10.1016/0021-9614(85)90063-1 . [all data]

Inoue, Arai, et al., 1981
Inoue, Mikio; Arai, Yasuhiko; Saito, Shozaburo; Suzuki, Nobuo, Vapor-liquid equilibriums of acetylacetone-organic solvent systems, J. Chem. Eng. Data, 1981, 26, 3, 287-293, https://doi.org/10.1021/je00025a020 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References