tert-Butyl Hydroperoxide

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Phase change 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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δvap11.41 ± 0.04kcal/molVKozlov and Rabinovich, 1964ALS
Δvap11.5kcal/molN/AKozlov and Rabinovich, 1964DRB
Δvap11.5kcal/molVVaughan, 1951ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.130153.VEgerton, Emte, et al., 1951ALS

Gas phase ion energetics data

Go To: Top, Phase change data, References, Notes

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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
10.24PEBatich and Adam, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
HO2+9.90C4H9EIHolmes, Lossing, et al., 1991LL

De-protonation reactions

C4H9O2- + Hydrogen cation = tert-Butyl Hydroperoxide

By formula: C4H9O2- + H+ = C4H10O2

Quantity Value Units Method Reference Comment
Δr370.9 ± 2.1kcal/molG+TSClifford, Wenthold, et al., 1998gas phase; B
Quantity Value Units Method Reference Comment
Δr363.2 ± 2.0kcal/molIMREClifford, Wenthold, et al., 1998gas phase; B

References

Go To: Top, Phase change data, 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.

Kozlov and Rabinovich, 1964
Kozlov, N.A.; Rabinovich, I.B., Thermodynamics of isopropylbenzene and tert-butyl hydroperoxides. I. Heat of combustion and the formation of hydroperoxides; [bond] energy of oxygen-oxygen bond, Tr. Khim. Khim. Tekhnol., 1964, 189-193. [all data]

Vaughan, 1951
Vaughan, W.E., General discussion (communicated), Discuss. Faraday Soc., 1951, 10, 330. [all data]

Egerton, Emte, et al., 1951
Egerton, A.C.; Emte, W.; Minkoff, G.J., Some properties of organic peroxides, Faraday Discuss. Chem. Soc., 1951, 10, 278. [all data]

Batich and Adam, 1974
Batich, C.; Adam, W., The photoelectron spectra of alkylperoxides, Tetrahedron Lett., 1974, 1467. [all data]

Holmes, Lossing, et al., 1991
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Heats of formation of oxygen-containing organic free radicals from appearance energy measurements, J. Am. Chem. Soc., 1991, 113, 9723. [all data]

Clifford, Wenthold, et al., 1998
Clifford, E.P.; Wenthold, P.G.; Gareyev, R.; Lineberger, W.C.; DePuy, C.H.; Bierbaum, V.M.; Ellison, G.B., Photoelectron spectroscopy, gas phase acidity, and thermochemistry of tert-butyl hydroperoxide: Mechanisms for the rearrangement of peroxyl radicals, J. Chem. Phys., 1998, 109, 23, 10293-10310, https://doi.org/10.1063/1.477725 . [all data]


Notes

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