Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-

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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-39.3 ± 3.0kJ/molCcbKratt, Beckhaus, et al., 1983ΔHfusion=6.1±0.1 kcal/mol, see Beckhaus, 1983; ALS
Quantity Value Units Method Reference Comment
Δcsolid-10188.0 ± 3.0kJ/molCcbKratt, Beckhaus, et al., 1983ΔHfusion=6.1±0.1 kcal/mol, see Beckhaus, 1983; Corresponding Δfsolid = -39.3 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
321.1298.Kratt, Beckhaus, et al., 1983, 2Cp given as 0.322 cal/g*K.; DH

IR Spectrum

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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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 Chemical Concepts
NIST MS number 222764

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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.

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]

Beckhaus, 1983
Beckhaus, H.D., Application of force field calculations. IV. Force field for the calculation of the structures and heats of formation of alkylbenzenes and its test of reliability on highly strained diphenylethanes, Chem. Ber., 1983, 116, 86-96. [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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