Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

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

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, 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:
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

Go To: Top, Gas 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:
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

References

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