Benzene, 1,1',1'',1'''-(1,2-ethanediylidene)tetrakis-

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas85.4 ± 1.3kcal/molCcbBeckhaus, Dogan, et al., 1990 

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
Δfsolid52.7 ± 0.8kcal/molCcbBeckhaus, Dogan, et al., 1990ALS
Quantity Value Units Method Reference Comment
Δcsolid-3249.5 ± 0.8kcal/molCcbBeckhaus, Dogan, et al., 1990Corresponding Δfsolid = 52.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-3248.42 ± 0.31kcal/molCcbCoops, Mulder, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -3249.3 ± 0.7 kcal/mol; See Coops, Mulder, et al., 1946; Corresponding Δfsolid = 51.63 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
95.51298.5Smith and Andrews, 1931T = 102 to 346 K. Value is unsmoothed experimental datum.; DH

Phase change 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:
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
Tfus485. ± 4.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δsub32.7kcal/molVBeckhaus, Dogan, et al., 1990ALS
Δsub32.74kcal/molN/ABeckhaus, Dogan, et al., 1990DRB
Δsub32.70 ± 0.69kcal/molGSBeckhaus, Dogan, et al., 1990AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
31.41 ± 0.50396.GSBeckhaus, Dogan, et al., 1990Based on data from 370. - 423. K.; AC

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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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IR 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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Due to licensing restrictions, this spectrum cannot be downloaded.

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 Japan AIST/NIMC Database- Spectrum MS-IW-6954
NIST MS number 240878

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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.

Beckhaus, Dogan, et al., 1990
Beckhaus, H.D.; Dogan, B.; Schaetzer, J.; Hellmann, S.; Ruchardt, C., Thermische stabilitat und bildungsenthalpie von 1,2,2,2- und 1,1,1,2- tetraphenylethan. - Die stabilisierungsenergien von benzhydryl- und triphenylmethyl-radikalen, Chem. Ber., 1990, 123, 137-144. [all data]

Coops, Mulder, et al., 1953
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J., Thermochemical investigations on arylethanes I. Heats of combustion of phenylethanes., Rec. Trav. Chim. Pays/Bas, 1953, 72, 785. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Coops, Mulder, et al., 1946
Coops, J.; Mulder, D.; Dienske, J.W.; Smittenberg, J., The heats of combustion of a number of hydrocarbons, Rec. Trav. Chim. Pays/Bas, 1946, 65, 128. [all data]

Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H., Thermal energy studies. I. Phenyl derivatives of methane, ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]


Notes

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