Cyclohexane, butyl-

Formula: C₁₀H₂₀
Molecular weight: 140.2658
IUPAC Standard InChI: InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3
IUPAC Standard InChIKey: GGBJHURWWWLEQH-UHFFFAOYSA-N
CAS Registry Number: 1678-93-9
Chemical structure:
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Other names: n-Butylcyclohexane; Butane, 1-cyclohexyl-; Butylcyclohexane; 1-Cyclohexylbutane; Cyclohexane, n-butyl-
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Gas phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-50.95 ± 0.33	kcal/mol	Ccb	Prosen, Johnson, et al., 1946	ALS
Quantity	Value	Units	Method	Reference	Comment
S°_gas	109.89	cal/mol*K	N/A	Finke H.L., 1965	GT

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

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.41	EQ	Sieck and Mautner(Meot-Ner), 1982	LBLHLM
9.57 ± 0.03	PE	Rang, Paldoia, et al., 1974	LLK

References

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Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH₂ group for several homologous series of hydrocarbons, J. Res. NBS, 1946, 37, 51-56. [all data]

Finke H.L., 1965
Finke H.L., Thermodynamic properties of n-propyl-, n-butyl-, and n-decyl-substituted cyclohexane from 10 to 370 K, J. Phys. Chem., 1965, 69, 2094-2100. [all data]

Sieck and Mautner(Meot-Ner), 1982
Sieck, L.W.; Mautner(Meot-Ner), M., Ionization energies and entropies of cycloalkanes. Kinetics of free energy controlled charge-transfer reactions, J. Phys. Chem., 1982, 86, 3646. [all data]

Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A., Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes, Eesti. NSV Tead. Akad. Toim., 1974, 354. [all data]

Notes

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Symbols used in this document:

S°_gas Entropy of gas at standard conditions

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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S°_gas	Entropy of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions