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
Δfgas111.3 ± 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
Δfsolid16.2 ± 2.9kJ/molCcbRibeiro da Silva, Matos, et al., 1997 
Quantity Value Units Method Reference Comment
Δcsolid-7526.1 ± 2.3kJ/molCcbRibeiro da Silva, Matos, et al., 1997Corresponding Δfsolid = 16.2 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-7524.1 ± 7.5kJ/molCcbBrull, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = -7521.74 kJ/mol; Corresponding Δfsolid = 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
Δsub95.1 ± 2.0kJ/molCRibeiro da Silva, Matos, et al., 1997ALS
Δsub95.1 ± 2.0kJ/molCRibeiro da Silva, Matos, et al., 1997, 2AC
Δsub95.1kJ/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

References

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


Notes

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