Benzene, (2,2-dimethylpropyl)-

Formula: C₁₁H₁₆
Molecular weight: 148.2447
IUPAC Standard InChI: InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
IUPAC Standard InChIKey: CJGXJKVMUHXVHL-UHFFFAOYSA-N
CAS Registry Number: 1007-26-7
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Benzene, neopentyl-; Neopentylbenzene; 2,2-Dimethyl-1-phenylpropane
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Gas phase ion energetics data

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Data compiled as indicated in comments:
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 C₁₁H₁₆⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.41 ± 0.04	EI	Bock, Seidl, et al., 1968	RDSH
8.60	PE	Howell, Goncalves, et al., 1984	Vertical value; LBLHLM
8.7	PE	Schweig, Weidner, et al., 1974	Vertical value; LLK
~8.8	PE	Distefano, Pignataro, et al., 1974	Vertical value; LLK
8.77	PE	Bischof, Dewar, et al., 1974	Vertical value; LLK

References

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Bock, Seidl, et al., 1968
Bock, H.; Seidl, H.; Fochler, M., d-Orbitaleffekte in silicium-substituierten π-Elektronensystemen. X. Vertikale Ionisierungsenergien von Alkyl- und Silyl-benzolen, Chem. Ber., 1968, 101, 2815. [all data]

Howell, Goncalves, et al., 1984
Howell, J.O.; Goncalves, J.M.; Amatore, C.; Klasinc, L.; Wightman, R.M.; Kochi, J.K., Electron transfer from aromatic hydrocarbons and their π-complexes with metals. Comparison of the standard oxidation potentials and vertical ionization potentials, J. Am. Chem. Soc., 1984, 106, 3968. [all data]

Schweig, Weidner, et al., 1974
Schweig, A.; Weidner, U.; Manuel, G., Theory and application of photoelectron spectroscopy. XLIV. A quantitative account of hyperconjugation in allyl and benzyl compounds of elements of Group IVB, J. Organomet. Chem., 1974, 67, 4. [all data]

Distefano, Pignataro, et al., 1974
Distefano, G.; Pignataro, S.; Ricci, A.; Colonna, F.P.; Pietropaolo, D., Interactions of π-orbitals with the group IV elements studied by ionization energy measurements, Ann. Chim., 1974, 64, 153. [all data]

Bischof, Dewar, et al., 1974
Bischof, P.K.; Dewar, M.J.S.; Goodman, D.W.; Jones, T.B., Photoelectron spectra of molecules. VI. Hyperconjugation versus p_π-d_π bonding in group IVb compounds, J. Organomet. Chem., 1974, 82, 89. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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