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4,4'-Dimethylbiphenyl

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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
Deltafgas111.3 ± 3.6kJ/molCcbRibeiro da Silva, Matos, et al., 1997 

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
Deltafsolid16.2 ± 2.9kJ/molCcbRibeiro da Silva, Matos, et al., 1997 
Quantity Value Units Method Reference Comment
Deltacsolid-7526.1 ± 2.3kJ/molCcbRibeiro da Silva, Matos, et al., 1997Corresponding «DELTA»fsolid = 16.2 kJ/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-7524.1 ± 7.5kJ/molCcbBrull, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = -7521.74 kJ/mol; Corresponding «DELTA»fsolid = 14.1 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil568.2KN/AWeast and Grasselli, 1989BS
Tboil562.KN/ABlades, Blades, et al., 1954Uncertainty assigned by TRC = 4. K; TRC
Tboil568.KN/AUllmann, 1904Uncertainty assigned by TRC = 4. K; TRC
Tboil569.KN/ASchultz, 1881Uncertainty assigned by TRC = 4. K; TRC
Tboil559.KN/ACarnelley, 1877Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus394. ± 3.KAVGN/AAverage of 34 out of 35 values; Individual data points
Quantity Value Units Method Reference Comment
Deltasub95.1 ± 2.0kJ/molCRibeiro da Silva, Matos, et al., 1997ALS
Deltasub95.1 ± 2.0kJ/molCRibeiro da Silva, Matos, et al., 1997, 2AC
Deltasub95.1kJ/molN/AN/ADRB

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:


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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.50EILoudon and Mazengo, 1974LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C13H11+12.65CH3EILoudon and Mazengo, 1974LLK
C14H13+12.85HEILoudon and Mazengo, 1974LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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 Japan AIST/NIMC Database- Spectrum MS-NW-4599
NIST MS number 228755

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 Ando and Tokura, 1958
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. 6248
Instrument Beckman DU
Melting point 129
Boiling point 295

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.

Ribeiro da Silva, Matos, et al., 1997
Ribeiro da Silva, M.A.V.; Matos, M.A.R.; do Rio, C.M.A.; Morais, V.M.F., Thermochemical and theoretical studies of 4-methylbiphenyl, 4,4'-dimethylbiphenyl, 4,4'-dimethyl-2,2'-bipyridine, J. Chem. Soc. Farad. Trans, 1997, 93, 3061. [all data]

Brull, 1935
Brull, L., Sui calori di combustione di alcuni derivati del bifenil, Gazz. Chim. Ital., 1935, 65, 19-28. [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]

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]

Blades, Blades, et al., 1954
Blades, H.; Blades, A.; Steacie, E.W.R., The Kinetics of Pyrolysis of Toluene, Can. J. Chem., 1954, 32, 298-311. [all data]

Ullmann, 1904
Ullmann, F., Justus Liebigs Ann. Chem., 1904, 332, 38. [all data]

Schultz, 1881
Schultz, G., Justus Liebigs Ann. Chem., 1881, 207, 361. [all data]

Carnelley, 1877
Carnelley, T., J. Chem. Soc., 1877, 32, 653. [all data]

Ribeiro da Silva, Matos, et al., 1997, 2
Ribeiro da Silva, Manuel A.V.; Matos, Agostinha R.; do Rio, Carolina M.A.; Morais, Victor M.F., Thermochemical and theoretical studies of 4-methylbiphenyl, 4,4´-dimethylbiphenyl, 4,4´-dimethyl-2,2´-bipyridine, Faraday Trans., 1997, 93, 17, 3061-3065, https://doi.org/10.1039/a701769c . [all data]

Loudon and Mazengo, 1974
Loudon, A.G.; Mazengo, R.Z., Steric strain and electron-impact. The behaviour of some n, n'-dimethyl- 1,1-binaphthyls, some n, n'-dimethylbiphenyls and model compounds, Org. Mass Spectrom., 1974, 8, 179. [all data]

Ando and Tokura, 1958
Ando, T.; Tokura, N., Benzylation of acetylene. II. On the structure and oxidation of 3-benzyl-3,4-diphenyl-1-butyne, Bull. Chem. Soc. Jpn., 1958, 31, 351-355. [all data]


Notes

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