Benzene, 1,1'-ethenylidenebis-[4-methyl-


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

Quantity Value Units Method Reference Comment
Δcsolid-8668.7 ± 2.0kJ/molCcbCoops, Hoijtink, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -8668. ± 2. kJ/mol; Corresponding Δfsolid = 85.90 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-8522. ± 2.kJ/molCcbCoops, Hoijtink, et al., 1953, 2Corresponding Δfsolid = -61. kJ/mol (simple calculation by NIST; no Washburn corrections)

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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub101.0 ± 1.4kJ/molGSVerevkin, 1999AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
407. to 409.0.0008Frinton Laboratories Inc., 1986BS

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
100.3 ± 1.4320.GSVerevkin, 1999Based on data from 309. to 332. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
23.31334.1Verevkin, 1999AC

Gas phase ion energetics 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 evaluated by: Edward P. Hunter and Sharon G. Lias

View reactions leading to C16H16+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)900.2kJ/molN/AHunter and Lias, 1998 
Quantity Value Units Method Reference Comment
Gas basicity871.4kJ/molN/AHunter and Lias, 1998 

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 SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
State gas

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 NIST Mass Spectrometry Data Center, 1994
NIST MS number 135765

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Coops, Hoijtink, et al., 1953
Coops, J.; Hoijtink, G.J.; Kramer, Th.J.E.; Faber, A.C., Thermochemical investigations on arylethenes. II. Heats of combustion of some para and orthotolylethenes and phenylbutadienes, Rec. Trav. Chim. Pays/Bas, 1953, 72, 765. [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, Hoijtink, et al., 1953, 2
Coops, J.; Hoijtink, G.J.; Kramer, Th.J.E.; Faber, A.C., Thermochemical investigations on arylethynes I. Heats of combustion of some diarylethynes, Rec. Trav. Chim. Pays/Bas, 1953, 72, 781. [all data]

Verevkin, 1999
Verevkin, Sergey P., Thermochemical investigation on α-methyl-styrene and parent phenyl substituted alkenes, Thermochimica Acta, 1999, 326, 1-2, 17-25, https://doi.org/10.1016/S0040-6031(98)00585-1 . [all data]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]


Notes

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