Benzene, cyclohexyl-

Formula: C₁₂H₁₆
Molecular weight: 160.2554
IUPAC Standard InChI: InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
IUPAC Standard InChIKey: IGARGHRYKHJQSM-UHFFFAOYSA-N
CAS Registry Number: 827-52-1
Chemical structure:
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Other names: Cyclohexane, phenyl-; Cyclohexylbenzene; Phenylcyclohexane; 1,1'-Biphenyl, 1,2,3,4,5,6-hexahydro-
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Reaction thermochemistry data

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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

3 + = Benzene, cyclohexyl-

By formula: 3H₂ + C₁₂H₁₀ = C₁₂H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-54.	kcal/mol	Eqk	Frye, 1962	liquid phase

3 + Benzene, cyclohexyl- =

By formula: 3H₂ + C₁₂H₁₆ = C₁₂H₂₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-54.	kcal/mol	Eqk	Frye, 1962	liquid phase

Gas phase ion energetics data

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Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV)	Method	Reference
8.1	EI	Mikaya, Zaikin, et al., 1979

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference
C₈H₈⁺	9.99 ± 0.02	C₄H₈	EI	Zaikin, Mikaya, et al., 1981
C₈H₈⁺	10.8	C₄H₈	EI	Mikaya, Zaikin, et al., 1979
C₉H₉⁺	11.7	C₃H₇	EI	Mikaya, Zaikin, et al., 1979

References

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Frye, 1962
Frye, C.G., Equilibria in the hydrogenation of polycyclic aromatics, J. Chem. Eng. Data, 1962, 7, 592-595. [all data]

Mikaya, Zaikin, et al., 1979
Mikaya, A.I.; Zaikin, V.G.; Finkel'stein, E.S.; Vdovin, V.M., Mass-spectrometric investigation of aromatic derivatives of cycloalkanes and cycloalkanols, Izv. Akad. Nauk SSSR, Ser. Khim., 1979, 10, 2221. [all data]

Zaikin, Mikaya, et al., 1981
Zaikin, V.G.; Mikaya, A.I.; Finkel'shtein, E.Sh.; Vdovin, V.M.; Nametkin, N.S., Heats of formation of phenylcycloalkanes, Dokl. Phys. Chem., 1981, 253, 620. [all data]

Notes

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Symbols used in this document:

AE Appearance energy

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
Δ_rH°	Enthalpy of reaction at standard conditions