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Benzyl methyl ketone

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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-94.64kJ/molCcbNicholson, Szwarc, et al., 1954 
Deltafgas-94.64kJ/molCcbNicholson, Szwarc, et al., 1954 

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
Deltafliquid-151.9 ± 1.7kJ/molCcbNicholson, Szwarc, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -152.3 kJ/mol
Deltafliquid-152.3kJ/molCcbNicholson, Szwarc, et al., 1954 
Deltafliquid-162.5 ± 1.3kJ/molCcbParks, Manchester, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -163.0 ± 1.3 kJ/mol
Quantity Value Units Method Reference Comment
Deltacliquid-4818.8 ± 1.7kJ/molCcbNicholson, Szwarc, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -4819. ± 2. kJ/mol; Corresponding «DELTA»fliquid = -151.9 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-4818.5 ± 1.7kJ/molCcbNicholson, Szwarc, et al., 1954Corresponding «DELTA»fliquid = -152.3 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-4808.2 ± 1.2kJ/molCcbParks, Manchester, et al., 1954Reanalyzed by Cox and Pilcher, 1970, Original value = -4807.79 kJ/mol; Corresponding «DELTA»fliquid = -162.6 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-4818. ± 3.kJ/molCcbSpringall and White, 1954Corresponding «DELTA»fliquid = -152. kJ/mol (simple calculation by NIST; no Washburn corrections)

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

C9H9O- + Hydrogen cation = Benzyl methyl ketone

By formula: C9H9O- + H+ = C9H10O

Quantity Value Units Method Reference Comment
Deltar1465. ± 10.kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1469. ± 15.kJ/molG+TSCumming and Kebarle, 1978gas phase; B
Quantity Value Units Method Reference Comment
Deltar1441. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1445. ± 8.4kJ/molIMRECumming and Kebarle, 1978gas phase; B

Chlorine anion + Benzyl methyl ketone = (Chlorine anion bullet Benzyl methyl ketone)

By formula: Cl- + C9H10O = (Cl- bullet C9H10O)

Quantity Value Units Method Reference Comment
Deltar44.77kJ/molTDEqFrench, Ikuta, et al., 1982gas phase; B

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
35.421.PHPMSFrench, Ikuta, et al., 1982gas phase; M

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Nicholson, Szwarc, et al., 1954
Nicholson, G.R.; Szwarc, M.; Taylor, J.W., The heats of formation of diacetyl and of benzyl methyl ketone in the vapour phase, J. Chem. Soc., 1954, 2767-2769. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Parks, Manchester, et al., 1954
Parks, G.S.; Manchester, K.E.; Vaughan, L.M., Heats of combustion and formation of some alcohols, phenols, and ketones, J. Chem. Phys., 1954, 22, 2089-2090. [all data]

Springall and White, 1954
Springall, H.D.; White, T.R., Heats of combustion and molecular structure. Part II. The mean bond energy term for the carbonyl system in certain ketones, J. Chem. Soc., 1954, 2765-27. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [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]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References