Benzene, propyl-

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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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 C9H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.713 ± 0.010eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)790.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity762.4kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.7134TETakahashi and Kimura, 1992LL
8.77 ± 0.08EISelim and Helal, 1982LBLHLM
8.71EIMcLoughlin, Morrison, et al., 1979LLK
8.723 ± 0.008EQLias and Ausloos, 1978LLK
8.72 ± 0.01PIWatanabe, 1957RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5+15.5 ± 0.2C2H5+C2H2EITajima and Tsuchiya, 1973LLK
C7H7+10.57 ± 0.10C2H5EISelim and Helal, 1982LBLHLM
C7H7+9.85C2H5EIMcLoughlin, Morrison, et al., 1979LLK
C7H7+11.64?EILoudon, Maccoll, et al., 1970RDSH
C8H9+9.98CH3EIMcLoughlin, Morrison, et al., 1979LLK


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

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, . [all data]

Takahashi and Kimura, 1992
Takahashi, M.; Kimura, K., Cation vibrational spectroscopy of trans and gauche n-propylbenzene rotational isomers. Two-color threshold photoelectron study and ab initio calculations, J. Chem. Phys., 1992, 97, 2920. [all data]

Selim and Helal, 1982
Selim, E.T.M.; Helal, A.I., The study of C1-C3 monosubstituted alkyl benzenes by the inverse convolution of first differential ionization efficiency curves, Org. Mass Spectrom., 1982, 17, 539. [all data]

McLoughlin, Morrison, et al., 1979
McLoughlin, R.G.; Morrison, J.D.; Traeger, J.C., Photoionization of the C-1 - C-4 monosubstituted alkyl benzenes: Thermochemistry of [C7H7]+ and [C8H9]+ formation, Org. Mass Spectrom., 1979, 14, 104. [all data]

Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J., eIonization energies of organic compounds by equilibrium measurements, J. Am. Chem. Soc., 1978, 100, 6027. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Tajima and Tsuchiya, 1973
Tajima, S.; Tsuchiya, T., Energetics consideration of C5H5+ ions produced from various precursors by electron impact, Bull. Chem. Soc. Jpn., 1973, 46, 3291. [all data]

Loudon, Maccoll, et al., 1970
Loudon, A.G.; Maccoll, A.; Wong, S.K., Comparison between unimolecular gas phase pyrolysis and electron impact fragmentation. Part I. The mass spectra of tetralin and some related heterocycles, J. Chem. Soc. B, 1970, 1727. [all data]


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