2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-

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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

Quantity Value Units Method Reference Comment
Tboil343.KN/AFarchan Laboratories, 1990BS
Tboil343.KN/APCR Inc., 1990BS
Tboil343.2KN/AWeast and Grasselli, 1989BS
Tboil343.2KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Tc485.10KN/AMousa, 1981Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Pc28.6716barN/AMousa, 1981Uncertainty assigned by TRC = 0.08 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.290l/molN/AMousa, 1981Uncertainty assigned by TRC = 0.008 l/mol; TRC
Quantity Value Units Method Reference Comment
Δvap30.66kJ/molN/AMajer and Svoboda, 1985 
Δvap30.6 ± 0.1kJ/molN/ARibeiro da Silva, Gonçalves, et al., 1997See also Irving and da Silva, 1975 and Ribeiro da Silva and Irving, 1978.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
27.05343.2N/AMajer and Svoboda, 1985 
33.1301.GSGeorge, Young, et al., 1998Based on data from 273. to 330. 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:


Reaction 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: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C5HF6O2- + Hydrogen cation = 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-

By formula: C5HF6O2- + H+ = C5H2F6O2

Quantity Value Units Method Reference Comment
Δr1328. ± 9.2kJ/molG+TSKoppel, Taft, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Δr1298. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas phase

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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.55 ± 0.05EIReichert, Bancroft, et al., 1970RDSH
10.74 ± 0.07PEEvans, Hamnett, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H2O2F3+11.2 ± 0.1CF3EIReichert, Bancroft, et al., 1970RDSH

De-protonation reactions

C5HF6O2- + Hydrogen cation = 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-

By formula: C5HF6O2- + H+ = C5H2F6O2

Quantity Value Units Method Reference Comment
Δr1328. ± 9.2kJ/molG+TSKoppel, Taft, et al., 1994gas phase; B
Quantity Value Units Method Reference Comment
Δr1298. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas phase; B

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 Chemical Concepts
NIST MS number 158940

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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, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.526.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]

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]

Mousa, 1981
Mousa, A.H.N., Critical constants, vapor pressure, and saturated volumes of hexafluoroacetylacetone., J. Chem. Eng. Data, 1981, 26, 248-9. [all data]

Ribeiro da Silva, Gonçalves, et al., 1997
Ribeiro da Silva, Manuel A.V.; Gonçalves, J.M.; Pilcher, G., Standard molar enthalpies of formation of nine fluorinated β-diketones by rotating bomb calorimetry, The Journal of Chemical Thermodynamics, 1997, 29, 3, 253-260, https://doi.org/10.1006/jcht.1996.0143 . [all data]

Irving and da Silva, 1975
Irving, Roger J.; da Silva, Manuel A.V. Ribeiro, Enthalpies of vaporization of some ?-diketones, J. Chem. Soc., Dalton Trans., 1975, 9, 798, https://doi.org/10.1039/dt9750000798 . [all data]

Ribeiro da Silva and Irving, 1978
Ribeiro da Silva, M.A.V.; Irving, R.G., Rev. Port. Quim., 1978, 20, 36. [all data]

George, Young, et al., 1998
George, Mark A.; Young, Kris M.; Robertson, Eric A.; Beck, Scott E.; Voloshin, George, Vapor Pressure and Viscosity of 1,1,1,5,5,5-Hexafluoro-2,4-pentanedione, J. Chem. Eng. Data, 1998, 43, 1, 60-64, https://doi.org/10.1021/je9700941 . [all data]

Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M., The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids, J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038 . [all data]

Reichert, Bancroft, et al., 1970
Reichert, C.; Bancroft, G.M.; Westmore, J.B., Mass spectral studies of metal chelates. V. Mass spectra and appearance potentials of some fluorine-substituted acetylacetonates, Can. J. Chem., 1970, 48, 1362. [all data]

Evans, Hamnett, et al., 1972
Evans, S.; Hamnett, A.; Orchard, A.F.; Lloyd, D.R., Study of the metal-oxygen bond in simple tris-chelate complexes by He(I) photoelectron spectroscopy, Faraday Discuss. Chem. Soc., 1972, 54, 227. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

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