1-Butanone, 1-phenyl-

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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
Δfliquid-45.13 ± 0.45kcal/molCcbColomina, Latorre, et al., 1961 
Quantity Value Units Method Reference Comment
Δcliquid-1305.29 ± 0.40kcal/molCcbColomina, Latorre, et al., 1961Corresponding Δfliquid = -45.11 kcal/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 by: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil501.7KN/AWeast and Grasselli, 1989 

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference
394. to 396.0.026Frinton Laboratories Inc., 1986

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C10H12O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.1 ± 0.1EIDallinga, Nibbering, et al., 1981LLK
9.08PIMcLoughlin and Traeger, 1979LLK
9.4 ± 0.2EIMcLafferty and Wachs, 1967RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H5O+9.59C3H7PIMcLoughlin and Traeger, 1979LLK
C8H10O+9.5 ± 0.1C2H4EIDallinga, Nibbering, et al., 1981LLK

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.

Colomina, Latorre, et al., 1961
Colomina, M.; Latorre, C.; Perez-Ossorio, R., Heats of combustion of five alkyl phenyl ketones, Pure & Appl. Chem., 1961, 2, 133-135. [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]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]

Dallinga, Nibbering, et al., 1981
Dallinga, J.W.; Nibbering, N.M.M.; Louter, G.J., Formation and structure of [C8H8O]+ ions, generated from gas phase ions of phenylcyclopropylcarbinol and 1-phenyl-1-(hydroxymethyl)cyclopropane, Org. Mass Spectrom., 1981, 16, 4. [all data]

McLoughlin and Traeger, 1979
McLoughlin, R.G.; Traeger, J.C., A photoionization study of some benzoyl compounds - thermochemistry of [C7H5O]+ formation, Org. Mass Spectrom., 1979, 14, 434. [all data]

McLafferty and Wachs, 1967
McLafferty, F.W.; Wachs, T., Substituent effects in unimolecular ion decompositions. IX. Specific hydrogenrearrangement in butyrophenones, J. Am. Chem. Soc., 1967, 89, 5043. [all data]


Notes

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