5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane

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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

Quantity Value Units Method Reference Comment
Δfgas-245.kJ/molSemiStewart, 2004 
Δfgas-351. ± 3.kJ/molCcbKratt, Beckhaus, et al., 1983ΔHfussion = 10.3±0.1 kcal/mol at 112°C; ALS

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid-571.3 ± 2.2kJ/molCcbKratt, Beckhaus, et al., 1983ΔHfussion = 10.3±0.1 kcal/mol at 112°C; ALS
Quantity Value Units Method Reference Comment
Δcsolid-23242.7 ± 2.2kJ/molCcbKratt, Beckhaus, et al., 1983ΔHfussion = 10.3±0.1 kcal/mol at 112°C; Corresponding Δfsolid = -571.37 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
805.5298.Kratt, Beckhaus, et al., 1983, 2Cp given as 0.371 cal/g*K.; DH

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.

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Kratt, Beckhaus, et al., 1983
Kratt, G.; Beckhaus, H.D.; Bernlohr, W.; Ruchardt, C., Thermolabile kohlenwasserstoffe. XVII. Verbrennungsenthalpie und bildungsenthalpie von zehn sym.-tetraalkyl-1,2-diarylethanen, Thermochim. Acta, 1983, 62, 279-194. [all data]

Kratt, Beckhaus, et al., 1983, 2
Kratt, G.; Beckhaus, H.D.; Bernioehr, W.; Ruechardt, C., Thermolabile hydrocarbons. XVII. Enthalpies of combustion and formation of ten sym-tetraalkyl-1,2-diarylethanes, Thermochim. Acta, 1983, 62, 279-294. [all data]


Notes

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