α-Methylstyrene

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Gas phase thermochemistry 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 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
Δfgas28.27 ± 0.34kcal/molEqkGuthrie, 1978ALS
Quantity Value Units Method Reference Comment
Δcgas-1215.05kcal/molCcbKrall and Roberts, 1958Corresponding Δfgas = 27.01 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.8850.Thermodynamics Research Center, 1997p=1 bar.; GT
13.72100.
17.63150.
22.50200.
30.679273.15
33.578298.15
33.791300.
44.857400.
54.271500.
61.93600.
68.14700.
73.26800.
77.51900.
81.091000.
84.131100.
86.691200.
88.891300.
90.771400.
92.381500.

Reaction thermochemistry 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 compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Hydrogen chloride + α-Methylstyrene = Benzene, (1-chloro-1-methylethyl)-

By formula: HCl + C9H10 = C9H11Cl

Quantity Value Units Method Reference Comment
Δr-8.80 ± 0.45kcal/molCmArnett and Pienta, 1980liquid phase; solvent: Methylene chloride; Hydrochlorination; ALS
Δr-12.4 ± 1.1kcal/molCmNesterova, Kovzel, et al., 1977liquid phase; Hydrochlorination; ALS

C9H9- + Hydrogen cation = α-Methylstyrene

By formula: C9H9- + H+ = C9H10

Quantity Value Units Method Reference Comment
Δr385.6 ± 5.6kcal/molG+TSBartmess and Burnham, 1984gas phase; between H2O, MeOH; B
Quantity Value Units Method Reference Comment
Δr379.0 ± 5.5kcal/molIMRBBartmess and Burnham, 1984gas phase; between H2O, MeOH; B

Hydrogen + α-Methylstyrene = Benzene, (1-methylethyl)-

By formula: H2 + C9H10 = C9H12

Quantity Value Units Method Reference Comment
Δr-26.60 ± 0.50kcal/molChydAbboud, Jimenez, et al., 1995liquid phase; solvent: Hyrocarbon; Like gas phase; ALS

Hydrogen bromide + α-Methylstyrene = Benzene, (1-bromo-1-methylethyl)-

By formula: HBr + C9H10 = C9H11Br

Quantity Value Units Method Reference Comment
Δr-15.2 ± 1.3kcal/molCmNesterova, Kovzel, et al., 1977liquid phase; Hydrobromination; ALS

References

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

Guthrie, 1978
Guthrie, J.P., Equilibrium constants for a series of simple aldol condensations, and linear free energy relations with other carbonyl addition reactions, Can. J. Chem., 1978, 56, 962-973. [all data]

Krall and Roberts, 1958
Krall, R.E.; Roberts, J.D., Strain variation in the unsaturated cyclobutane ring, Am. Chem. Soc. Div. Pet. Chem., 1958, 3, 63-68. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Arnett and Pienta, 1980
Arnett, E.M.; Pienta, N.J., Stabilities of carbonium ions in solution. 12. Heats of formation of alkyl chlorides as an entree to heats of solvation of aliphatic carbonium ions, J. Am. Chem. Soc., 1980, 102, 3329-3334. [all data]

Nesterova, Kovzel, et al., 1977
Nesterova, T.N.; Kovzel, E.N.; Karaseva, S.Ya.; Rozhnov, A.M., Heats of reaction of the hydrohalogenation of styrene and α-methylstyrene, Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 132. [all data]

Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R., Effect of central substituents on the gas phase acidities of propenes, J. Org. Chem., 1984, 49, 1382. [all data]

Abboud, Jimenez, et al., 1995
Abboud, J.-L.M.; Jimenez, P.; Roux, M.V.; Turrion, C.; Lopez-Mardomingo, C.; Podosenin, A.; Rogers, D.W.; Liebman, J.F., Interrelations of the energetics of amides and alkenes: enthalpies of formation of N,N-dimethyl dertivatives of pivalamide, 1-adamantylcarboxamide and benzamide, and of styrene and its a-, trans-β- and β,β-methylated derivates, J. Phys. Org. Chem., 1995, 8, 15-25. [all data]


Notes

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