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tert-Butyl Hydroperoxide

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

Quantity Value Units Method Reference Comment
Deltafgas-234.9kJ/molEqkKhursan and Martem'yanov, 1991hf from V. P.Komissarov's report
Deltafgas-246. ± 5.0kJ/molCcbKozlov and Rabinovich, 1964 

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

Quantity Value Units Method Reference Comment
Deltafliquid-294. ± 5.0kJ/molCcbKozlov and Rabinovich, 1964 
Quantity Value Units Method Reference Comment
Deltacliquid-2710. ± 5.0kJ/molCcbKozlov and Rabinovich, 1964Corresponding «DELTA»fliquid = -294. kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-2737.kJ/molCcbVaughan, 1951Corresponding «DELTA»fliquid = -266. kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-2736. ± 1.kJ/molCcbBell, Dickey, et al., 1949Corresponding «DELTA»fliquid = -267. kJ/mol (simple calculation by NIST; no Washburn corrections)

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
Deltavap47.7 ± 0.2kJ/molVKozlov and Rabinovich, 1964ALS
Deltavap48.0kJ/molN/AKozlov and Rabinovich, 1964DRB
Deltavap48.1kJ/molVVaughan, 1951ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
46.568153.VEgerton, Emte, et al., 1951ALS

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 by: 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

C4H9O2- + Hydrogen cation = tert-Butyl Hydroperoxide

By formula: C4H9O2- + H+ = C4H10O2

Quantity Value Units Method Reference Comment
Deltar1552. ± 8.8kJ/molG+TSClifford, Wenthold, et al., 1998gas phase
Quantity Value Units Method Reference Comment
Deltar1520. ± 8.4kJ/molIMREClifford, Wenthold, et al., 1998gas phase

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
NIST MS number 341918

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes

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

Khursan and Martem'yanov, 1991
Khursan, S.L.; Martem'yanov, V.S., Thermochemistry of the recombination of peroxyl radicals, Russ. J. Phys. Chem. (Engl. Transl.), 1991, 65, 321-325. [all data]

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]

Bell, Dickey, et al., 1949
Bell, E.R.; Dickey, F.H.; Raley, J.H.; Rust, F.F.; Vaughan, W.E., Oxidation of branched-chain compounds, Ind. Eng. Chem., 1949, 41, 2597-2604. [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]

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References