Di-tert-butyl peroxide

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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:
DRB - Donald R. Burgess, Jr.
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
Δfgas-81.45kcal/molN/ADiogo, Minas da Piedade, et al., 1995Value computed using ΔfHliquid° value of -380.8±2.0 kj/mol from Diogo, Minas da Piedade, et al., 1995 and ΔvapH° value of 40.0 kj/mol from Baker, Littlefair, et al., 1965.; DRB
Δfgas-82.0kcal/molCcbIslam, 1980ALS
Δfgas-81.5kcal/molCcbBaker, Littlefair, et al., 1965ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
37.765200.Diogo H.P., 1995GT
52.395298.15
52.658300.
66.154400.
78.255500.
88.956600.
98.258700.
106.16800.
112.65900.
117.741000.

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
Δfliquid-91.01 ± 0.48kcal/molCcbDiogo, Minas da Piedade, et al., 1995 
Δfliquid-91.9kcal/molCcbIslam, 1980 
Δfliquid-91.1kcal/molCcbBaker, Littlefair, et al., 1965 
Quantity Value Units Method Reference Comment
Δcliquid-1276.2 ± 0.38kcal/molCcbDiogo, Minas da Piedade, et al., 1995Corresponding Δfliquid = -91.01 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1275.4kcal/molCcbIslam, 1980Corresponding Δfliquid = -91.8 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1276.2 ± 0.2kcal/molCcbBaker, Littlefair, et al., 1965Corresponding Δfliquid = -91.0 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1275.0kcal/molCcbVaughan, 1951Corresponding Δfliquid = -92.2 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1273.kcal/molCcbRaley, Rust, et al., 1948Corresponding Δfliquid = -94. kcal/mol (simple calculation by NIST; no Washburn corrections)

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.

Diogo, Minas da Piedade, et al., 1995
Diogo, H.P.; Minas da Piedade, M.E.; Simoes, J.A.M.; Nagano, Y., Standard enthalpy of formation and enthalpy of vaporization of di-1,1-dimethylethyl perioxide. Re-evaluation of the standard enthalpy of formation of the di-1,1-dimethylethoxy radical, J. Chem. Thermodyn., 1995, 27, 597-604. [all data]

Baker, Littlefair, et al., 1965
Baker, G.; Littlefair, J.H.; Shaw, R.; Thynne, J.C.J., 1286. The heats of formation of dimethyl, diethyl, and di-t-butyl peroxide, J. Chem. Soc., 1965, 6970-6972. [all data]

Islam, 1980
Islam, T.S.A., Heats of combustion of di-tert-butyl and di-tert-amyl peroxides and their RO-OR bond dissociation energies, Dacca Univ. Stud., Part B, 1980, 28, 1-4. [all data]

Diogo H.P., 1995
Diogo H.P., Standard enthalpy of formation and enthalpy of vaporization of di-1,1-dimethyl peroxide. Reevaluation of the standard enthalpy of formation of the di-1,1-dimethylethoxy radical, J. Chem. Thermodyn., 1995, 27, 597-604. [all data]

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

Raley, Rust, et al., 1948
Raley, J.H.; Rust, F.F.; Vaughan, W.E., Decompositions of Di-t-alkyl peroxides. I. Kinetics, J. Am. Chem. Soc., 1948, 70, 88-94. [all data]


Notes

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