1,3-Butanedione, 1-phenyl-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-244.1 ± 2.9kJ/molCmRibeiro da Silva and Monte, 1992ALS
Δfgas-251.3 ± 2.9kJ/molCcbFerrao and Ribeiro Da Silva, 1981ALS
Δfgas-284.4kJ/molN/AFarrar and Jones, 1964Value computed using ΔfHliquid° value of -340±4.6 kj/mol from Farrar and Jones, 1964 and ΔvapH° value of 55.6 kj/mol from missing citation.; DRB

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

C10H9O2- + Hydrogen cation = 1,3-Butanedione, 1-phenyl-

By formula: C10H9O2- + H+ = C10H10O2

Quantity Value Units Method Reference Comment
Δr1422. ± 9.6kJ/molG+TSCumming and Kebarle, 1978gas phase
Quantity Value Units Method Reference Comment
Δr1393. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-1011656.Mastelic, Jerkovic, et al., 200625. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min

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.

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]

Ferrao and Ribeiro Da Silva, 1981
Ferrao, M.L.C.C.H.; Ribeiro Da Silva, M.A.V., Enthalpies of combustion of four methyl-substituted heptane-3,5-diones and benzoylacetone, J. Chem. Thermodyn., 1981, 13, 567-571. [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 β-diketones, J. Phys. Chem., 1964, 68, 1717-1721. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M., Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L., Flavour Fragr. J., 2006, 21, 2, 306-313, https://doi.org/10.1002/ffj.1596 . [all data]


Notes

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