Benzene, n-butyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase ion energetics data

Go To: Top, References, Notes

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
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

Quantity Value Units Method Reference Comment
IE (evaluated)8.69 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)791.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity764.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.68EIMcLoughlin, Morrison, et al., 1979LLK
8.71 ± 0.01EQLias and Ausloos, 1978LLK
8.69PIPrice, Bralsford, et al., 1959RDSH
8.69 ± 0.01PIWatanabe, 1957RDSH
8.69 ± 0.05PENagy-Felsobuki and Peel, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+10.67 ± 0.35C3H7CADKatritzky, Watson, et al., 1990LL
C7H7+9.93C3H7EIMcLoughlin, Morrison, et al., 1979LLK
C7H8+9.78 ± 0.35C3H6CADKatritzky, Watson, et al., 1990LL
C7H8+10.3 ± 0.1C3H6EIBurgers, Terlouw, et al., 1982LBLHLM
C7H8+9.73 ± 0.04C3H6PIMcLoughlin, Morrison, et al., 1978LLK
C7H8+10.1 ± 0.1C3H6EILightner, Majeti, et al., 1972LLK
C8H9+9.98C2H5EIMcLoughlin, Morrison, et al., 1979LLK


Go To: Top, Gas phase ion energetics data, Notes

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]

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]

Price, Bralsford, et al., 1959
Price, W.C.; Bralsford, R.; Harris, P.V.; Ridley, R.G., Ultra-violet spectra and ionization potentials of hydrocarbon molecules, Spectrochim. Acta, 1959, 14, 45. [all data]

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

Nagy-Felsobuki and Peel, 1979
Nagy-Felsobuki, E.; Peel, J.B., Photoelectron spectroscopic studies of the butylbenzenes, J. Electron Spectrosc. Relat. Phenom., 1979, 16, 397. [all data]

Katritzky, Watson, et al., 1990
Katritzky, A.R.; Watson, C.H.; Dega-Szafran, Z.; Eyler, J.R., Collisionally activated dissociation of N-alkylpyridinium cations to pyridine and alkyl cations in the gas phase, J. Am. Chem. Soc., 1990, 112, 2471. [all data]

Burgers, Terlouw, et al., 1982
Burgers, P.C.; Terlouw, J.K.; Levsen, K., Gaseous [C7H8+] ions: [Methylene cyclohexadiene]+, a stable species in the gas phase, Org. Mass Spectrom., 1982, 17, 295. [all data]

McLoughlin, Morrison, et al., 1978
McLoughlin, R.G.; Morrison, J.D.; Traeger, J.C., A photoionization study of the [C7H8]+ ion formed from some monosubstituted alkyl benzenes, Org. Mass Spectrom., 1978, 13, 483. [all data]

Lightner, Majeti, et al., 1972
Lightner, D.A.; Majeti, S.; Nicoletti, R.; Thommen, E., Benzyl vs. tropylium ions in the electron impact induced decomposition of n- butylbenzenes, Intra-Sci. Chem. Rep., 1972, 6, 113. [all data]


Go To: Top, Gas phase ion energetics data, References