Benzoic acid, phenyl ester

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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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)8.8 ± 0.15eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.76PIOrlov, Ponomarev, et al., 1991LL
8.63EIElder, Beynon, et al., 1976LLK
9.0EITurk and Shapiro, 1972LLK
8.98 ± 0.05EINatalis and Franklin, 1965RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+15.46 ± 0.05?EINatalis and Franklin, 1965RDSH
C7H5O+9.41OC6H5PIOrlov, Ponomarev, et al., 1991LL
C7H5O+9.62OC6H5EIElder, Beynon, et al., 1976LLK
C7H5O+10.0OC6H5EITurk and Shapiro, 1972LLK
C7H5O+10.01 ± 0.07C6H50EINatalis and Franklin, 1965RDSH

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

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-Innowax2514.Adamiec, Rossner, et al., 200130. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11604.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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.

Orlov, Ponomarev, et al., 1991
Orlov, V.M.; Ponomarev, D.A.; Misharev, A.D.; Takhistov, V.V., Photoionization mass spectrometry and the relative stabilities of aryloxy radicals, J. Gen. Chem. USSR, 1991, 61, 2088. [all data]

Elder, Beynon, et al., 1976
Elder, J.F.; Beynon, J.H.; Cooks, R.G., The benzoyl ion. Thermochemistry and kinetic energy release, Org. Mass Spectrom., 1976, 11, 415. [all data]

Turk and Shapiro, 1972
Turk, J.; Shapiro, R.H., Formation of benzoyl ions: A complicated cleavage reaction, Org. Mass Spectrom., 1972, 6, 189. [all data]

Natalis and Franklin, 1965
Natalis, P.; Franklin, J.L., Ionization and dissociation of diphenyl and condensed ring aromatics by electron impact. II. Diphenylcarbonyls and ethers, J. Phys. Chem., 1965, 69, 2943. [all data]

Adamiec, Rossner, et al., 2001
Adamiec, J.; Rossner, J.; Velisek, J.; Cejpek, K.; Savel, J., Minor Strecker degradation products of phenylalanine and phenylglycine, Eur. Food Res. Technol., 2001, 212, 2, 135-140, https://doi.org/10.1007/s002170000234 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]


Notes

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