1,1'-Biphenyl, 4-methyl-

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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
Δfgas138.2 ± 2.9kJ/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
Δfsolid58.0 ± 2.5kJ/molCcbRibeiro da Silva, Matos, et al., 1997 
Quantity Value Units Method Reference Comment
Δcsolid-6888.6 ± 1.8kJ/molCcbRibeiro da Silva, Matos, et al., 1997Corresponding Δfsolid = 58.0 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-6886.0 ± 7.1kJ/molCcbBrull, 1935Reanalyzed by Cox and Pilcher, 1970, Original value = -6884.48 kJ/mol; Corresponding Δfsolid = 55.44 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
Tboil541. ± 9.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus321. ± 3.KAVGN/AAverage of 17 values; Individual data points
Quantity Value Units Method Reference Comment
Δsub80.2 ± 1.4kJ/molCRibeiro da Silva, Matos, et al., 1997ALS
Δsub80.2 ± 1.4kJ/molCRibeiro da Silva, Matos, et al., 1997, 2AC
Δsub80.2kJ/molN/AN/ADRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
408.20.020Weast and Grasselli, 1989BS

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

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

Quantity Value Units Method Reference Comment
Proton affinity (review)817.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity785.4kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.6 ± 0.1EIBohlmann, Koppel, et al., 1974LLK
7.80 ± 0.02PEMaier and Turner, 1972LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+13.7 ± 0.3?EIMcLafferty and Winkler, 1974LLK
C13H11+11.3 ± 0.1HEIBohlmann, Koppel, et al., 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]

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]

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]

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]

Bohlmann, Koppel, et al., 1974
Bohlmann, F.; Koppel, C.; Muller, B.; Schwarz, H.; Weyerstahl, P., Massenspektrometrische Untersuchung isomerer Kohlenwasserstoffe: Struktur und Bildungsenthalpie stabiler (C13H11+) Ionen, Tetrahedron, 1974, 30, 1011. [all data]

Maier and Turner, 1972
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part I. Biphenyls, Faraday Discuss. Chem. Soc., 1972, 54, 149. [all data]

McLafferty and Winkler, 1974
McLafferty, F.W.; Winkler, J., Gaseous tropylium, benzyl, tolyl, and norbornadienyl cations, J. Am. Chem. Soc., 1974, 96, 5182. [all data]


Notes

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