Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-

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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
Δcsolid-10390.2 ± 1.7kJ/molCcbCoops and Hoijtink, 1950Reanalyzed by Cox and Pilcher, 1970, Original value = -10386.0 ± 0.80 kJ/mol; Corresponding Δfsolid = 233.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-10503.kJ/molCcbLemoult, 1911Corresponding Δfsolid = 346. 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
309.2298.5Smith and Andrews, 1931T = 102 to 322 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus337.KN/AZimmerman and Smentowski, 1957Uncertainty assigned by TRC = 4. K; TRC
Tfus342.KN/ACollins and Bonner, 1955Uncertainty assigned by TRC = 4. K; TRC
Tfus339.KN/AHauser, Manyik, et al., 1955Uncertainty assigned by TRC = 4. K; TRC
Tfus342.4KN/ASmith and Andrews, 1931, 2Uncertainty assigned by TRC = 2. K; m.p. with Hg thermometer; TRC
Tfus339.0KN/ASmith and Andrews, 1931, 2Uncertainty assigned by TRC = 0.7 K; f.p. with thermocouple; TRC
Quantity Value Units Method Reference Comment
Δvap91.8 ± 0.9kJ/molGSVerevkin and Ebenhoch, 1999Based on data from 346. to 377. K.; AC
Quantity Value Units Method Reference Comment
Δsub112.2 ± 1.9kJ/molGSVerevkin and Ebenhoch, 1999Based on data from 323. to 339. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
493.70.019Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
88.0 ± 0.9362.GSVerevkin and Ebenhoch, 1999Based on data from 346. to 377. K.; AC
89.7398.N/ASasse, N'guimbi, et al., 1989Based on data from 353. to 443. K.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
110.1 ± 1.9331.GSVerevkin and Ebenhoch, 1999Based on data from 323. to 339. K.; AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
20.58339.9DSCVerevkin and Ebenhoch, 1999AC
20.35341.N/AHikima, Okamoto, et al., 1998AC

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:


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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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-NW-6742
NIST MS number 235652

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.


UV/Visible 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source missing citation
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 8766
Instrument Unicam SP 700 numerical data of recording
Melting point 67

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Coops and Hoijtink, 1950
Coops, J.; Hoijtink, G.J., Thermochemical investigations on arylethenes. I. Heats of combustion of phenylethenes, Recl. Trav. Chim. Pays-Bas, 1950, 69, 358-367. [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]

Lemoult, 1911
Lemoult, M.P., Thermochimie. - Recherches sur les derives du styrolene; rectification de quelques erreurs experimentales, Compt. Rend., 1911, 152, 1402-1404. [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]

Zimmerman and Smentowski, 1957
Zimmerman, H.E.; Smentowski, F.J., Carbanion Rearrangements I., J. Am. Chem. Soc., 1957, 79, 5455. [all data]

Collins and Bonner, 1955
Collins, C.J.; Bonner, W.A., J. Am. Chem. Soc., 1955, 77, 92. [all data]

Hauser, Manyik, et al., 1955
Hauser, C.R.; Manyik, R.; Brasen, W.R.; Bayless, J. Org. Chem., 1955, 20, 1119. [all data]

Smith and Andrews, 1931, 2
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. [all data]

Verevkin and Ebenhoch, 1999
Verevkin, Sergey P.; Ebenhoch, Jochen, Structural Chemistry, 1999, 10, 6, 401-409, https://doi.org/10.1023/A:1022470804409 . [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Sasse, N'guimbi, et al., 1989
Sasse, K.; N'guimbi, J.; Jose, J.; Merlin, J.C., Tension de vapeur d'hydrocarbures polyaromatiques dans le domaine 10-3--10 Torr, Thermochimica Acta, 1989, 146, 53-61, https://doi.org/10.1016/0040-6031(89)87075-3 . [all data]

Hikima, Okamoto, et al., 1998
Hikima, Takaaki; Okamoto, Norimaru; Hanaya, Minoru; Oguni, Masaharu, Calorimetric study of triphenylethene: observation of homogeneous-nucleation-based crystallization, The Journal of Chemical Thermodynamics, 1998, 30, 4, 509-523, https://doi.org/10.1006/jcht.1997.0323 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References