m-Terphenyl

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Gas phase thermochemistry data

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

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

Data compiled by: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas66.9 ± 0.93kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.

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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfsolid38.62 ± 0.74kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
99.69370.Walker, Brooks, et al., 1958T = 200 to 600°F.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil652.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus359. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tc883. ± 10.KN/ATsonopoulos and Ambrose, 1995 
Tc883.KN/AReiter, 1963Uncertainty assigned by TRC = 10. K; TRC
Tc924.8KN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 16.7 K; TRC
Quantity Value Units Method Reference Comment
Pc24. ± 5.atmN/ATsonopoulos and Ambrose, 1995 
Pc24.48atmN/AReiter, 1963Uncertainty assigned by TRC = 5.0000 atm; TRC
Pc34.54atmN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 6.805 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.724l/molN/ATsonopoulos and Ambrose, 1995 
Quantity Value Units Method Reference Comment
ρc1.4 ± 0.5mol/lN/ATsonopoulos and Ambrose, 1995 
ρc1.38mol/lN/AReiter, 1963Uncertainty assigned by TRC = 0.087 mol/l; TRC
ρc1.30mol/lN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 0.13 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap23.2 ± 0.07kcal/molCGCPuri, Chickos, et al., 2001AC
Quantity Value Units Method Reference Comment
Δsub28.3 ± 0.2kcal/molMERibeiro da Silva, Santos, et al., 2008Based on data from 337. to 359. K.; AC
Δsub28.30 ± 0.57kcal/molReviewRoux, Temprado, et al., 2008There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Δsub28.23 ± 0.38kcal/molN/AVerevkin, 1997AC
Δsub28.7 ± 0.2kcal/molN/AKimura and Takagi, 1979AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
18.2477.AStephenson and Malanowski, 1987Based on data from 462. to 691. K.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
27.61 ± 0.38341.TVerevkin, 1997Based on data from 329. to 353. K.; AC
28.4338.N/AHoyer and Peperle, 1958Based on data from 313. to 363. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
7.41361.2DSCVerevkin, 1997AC
5.399360.N/AKambe, Mita, et al., 1971AC

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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)8.02 ± 0.10eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
7.9PEKobayashi, 1983LBLHLM
8.01 ± 0.01PEDewar and Goodman, 1972LLK
8.80 ± 0.05EIGallegos, 1967RDSH
8.14PEKobayashi, 1983Vertical value; LBLHLM

Mass spectrum (electron ionization)

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

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-8176
NIST MS number 228203

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References

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

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Walker, Brooks, et al., 1958
Walker, B.E., Jr.; Brooks, M.S.; Ewing, C.T.; Miller, R.R., Specific heat of biphenyl and other polyphenyls. Correlation of specific heat data for phenyl type compounds, J. Chem. Eng. Data, 1958, 3, 280-282. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Reiter, 1963
Reiter, R.W., , NASA Doc. N63-19495 1963 1963, 1963. [all data]

Mandel and Ewbank, 1960
Mandel, H.; Ewbank, N., , Atomics International NAA-S-R-5129 1960, 1960. [all data]

Puri, Chickos, et al., 2001
Puri, Swati; Chickos, James S.; Welsh, William J., Determination of Vaporization Enthalpies of Polychlorinated Biphenyls by Correlation Gas Chromatography, Anal. Chem., 2001, 73, 7, 1480-1484, https://doi.org/10.1021/ac001246p . [all data]

Ribeiro da Silva, Santos, et al., 2008
Ribeiro da Silva, Manuel A.V.; Santos, Luís M.N.B.F.; Lima, Luís M. Spencer S., Standard molar enthalpies of formation and of sublimation of the terphenyl isomers, The Journal of Chemical Thermodynamics, 2008, 40, 3, 375-385, https://doi.org/10.1016/j.jct.2007.08.008 . [all data]

Verevkin, 1997
Verevkin, S.P., Thermochemistry of substituted benzenes. Experimental standard molar enthalpies of formation of o-, m-, and p-terphenyls and 1,3,5-triphenylbenzene, J. Chem. Thermodyn., 1997, 29, 1495-1501. [all data]

Kimura and Takagi, 1979
Kimura, Takayoshi; Takagi, Sadao, Enthalpies of solution of o-, m-, and p-terphenyls in benzene at 298.15 K, The Journal of Chemical Thermodynamics, 1979, 11, 1, 47-55, https://doi.org/10.1016/0021-9614(79)90082-X . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W., Z. Elektrochem., 1958, 62, 61. [all data]

Kambe, Mita, et al., 1971
Kambe, H.; Mita, I.; Yokata, R., , Proceedings of the Third ICTAC, Davos Swizz, 1971, 387. [all data]

Kobayashi, 1983
Kobayashi, T., Conformational analysis of terphenyls by photoelectron spectroscopy, Bull. Chem. Soc. Jpn., 1983, 56, 3224. [all data]

Dewar and Goodman, 1972
Dewar, M.J.S.; Goodman, D.W., Photoelectron spectra of molecules. Part 5.--Polycyclic aromatic hydrocarbons, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1784. [all data]

Gallegos, 1967
Gallegos, E.J., Mass spectrometry of some polyphenyls, J. Phys. Chem., 1967, 71, 1647. [all data]


Notes

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