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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
Deltafgas-245.kJ/molSemiStewart, 2004 
Deltafgas-351. ± 3.kJ/molCcbKratt, Beckhaus, et al., 1983«DELTA»Hfussion = 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
Deltafsolid-571.3 ± 2.2kJ/molCcbKratt, Beckhaus, et al., 1983«DELTA»Hfussion = 10.3±0.1 kcal/mol at 112°C; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-23242.7 ± 2.2kJ/molCcbKratt, Beckhaus, et al., 1983«DELTA»Hfussion = 10.3±0.1 kcal/mol at 112°C; Corresponding «DELTA»fsolid = -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

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus385.KN/AKratt, Beckhaus, et al., 1983, 2Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltasub221.kJ/molEKratt, Beckhaus, et al., 1983«DELTA»Hfussion = 10.3±0.1 kcal/mol at 112°C; ALS
Deltasub220.3kJ/molN/AKratt, Beckhaus, et al., 1983DRB

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
43.1386.DSCKratt, Beckhaus, et al., 1983, 2AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References