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p-Terphenyl

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas284.4 ± 3.8kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafgas279. ± 6.3kJ/molCcbBalepin, Lebedev, et al., 1977ALS

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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:
DRB - Donald R. Burgess, Jr.
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
Deltafsolid158.8 ± 3.4kJ/molReviewRoux, Temprado, et al., 2008There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB
Deltafsolid163. ± 4.6kJ/molCcbBalepin, Lebedev, et al., 1977ALS
Quantity Value Units Method Reference Comment
Deltacsolid-9246.6 ± 4.6kJ/molCcbBalepin, Lebedev, et al., 1977Corresponding «DELTA»fsolid = 163. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar285.23J/mol*KN/ASaito, Atake, et al., 1988crystaline, I phase; DH
solid,1 bar285.62J/mol*KN/AChang, 1983DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
278.12298.15Saito, Atake, et al., 1988crystaline, I phase; T = 5 to 300 K.; DH
278.68298.15Chang, 1983T = 4 to 580 K. Cp = 35.12 + 0.58825T + 0.0010062T2 - 8.042x10-7T3 from 80 to 300 K.; DH
260.300.Wasicki, Radomska, et al., 1982T = 180 to 500 K. Data given graphically. Value estimated from graph.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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.
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
Tboil662.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus493.1KN/AWasicki, Radomska, et al., 1982, 2Uncertainty assigned by TRC = 0.2 K; TRC
Tfus487.5KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 5. K; TRC
Tfus488.1KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 4. K; TRC
Tfus486.KN/AMikhailov and Aronovich, 1955Uncertainty assigned by TRC = 3. K; TRC
Tfus480.KN/AIpatieff, Germain, et al., 1953Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple487.0KN/AChang, 1983, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc908. ± 10.KN/ATsonopoulos and Ambrose, 1995 
Tc908.KN/AReiter, 1963Uncertainty assigned by TRC = 10. K; TRC
Tc925.9KN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 16.7 K; TRC
Quantity Value Units Method Reference Comment
Pc30. ± 6.barN/ATsonopoulos and Ambrose, 1995 
Pc29.90barN/AReiter, 1963Uncertainty assigned by TRC = 6.0795 bar; TRC
Pc33.30barN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 3.447 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.729l/molN/ATsonopoulos and Ambrose, 1995 
Quantity Value Units Method Reference Comment
rhoc1.4 ± 0.6mol/lN/ATsonopoulos and Ambrose, 1995 
rhoc1.37mol/lN/AReiter, 1963Uncertainty assigned by TRC = 0.087 mol/l; TRC
rhoc1.31mol/lN/AMandel and Ewbank, 1960Uncertainty assigned by TRC = 0.13 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap101.7kJ/molCGCZhao, Unhannanant, et al., 2008AC
Quantity Value Units Method Reference Comment
Deltasub119. ± 9.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
79.2398.GCLei, Chankalal, et al., 2002Based on data from 323. - 473. K.; AC
79.2514.AStephenson and Malanowski, 1987Based on data from 499. - 700. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
116.2 ± 2.4368.TVerevkin, 1997Based on data from 353. - 383. K.; AC
118.4397.MEWakayama and Inokuchi, 1967AC
120.6363.N/AHoyer and Peperle, 1958Based on data from 333. - 393. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
35.300487.0N/AChang, 1983DH
35.500486.3N/ASmith, 1979DH
41.600493.1N/AWasicki, Radomska, et al., 1982DH
35.3482.4DSCVerevkin, 1997AC
35.5486.3N/ASaito, Atake, et al., 1988See also Chang, 1983, 2 and Acree, 1991.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
72.5487.0Chang, 1983DH
73.0486.3Smith, 1979DH
84.4493.1Wasicki, Radomska, et al., 1982DH

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
193.55crystaline, IIcrystaline, IChang, 1983Lambda transition.; DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.304193.5crystaline, IIcrystaline, ISaito, Atake, et al., 1988DH
0.095193.3crystaline, IIcrystaline, ICailleau and Dworkin, 1979Obtained T = 191.0 K, S = 0.45 J/mol, from DSC data.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.63193.5crystaline, II, Lambdacrystaline, I, type transitionSaito, Atake, et al., 1988DH
0.49193.3crystaline, IIcrystaline, ICailleau and Dworkin, 1979Obtained; DH

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

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

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:
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)7.80 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
7.83PEHino, Seki, et al., 1975LLK
7.78 ± 0.01PEDewar and Goodman, 1972LLK
8.29CTSSlifkin and Allison, 1967RDSH
8.78 ± 0.05EIGallegos, 1967RDSH

IR Spectrum

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

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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118487

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

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), 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, 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 Timmons and Perkins, 1966
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. 19830
Instrument Unicam SP 700
Melting point 213-214

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.

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]

Balepin, Lebedev, et al., 1977
Balepin, A.A.; Lebedev, V.P.; Miroshnichenko, E.A.; Koldobskii, G.I.; Ostovskii, V.A.; Larionov, B.P.; Gidaspov, B.V.; Lebedev, Yu.A., Energy effects in polyphenylenes and phenyltetrazoles, Svoistva Veshchestv Str. Mol., 1977, 93-98. [all data]

Saito, Atake, et al., 1988
Saito, K.; Atake, T.; Chihara, H., Thermodynamic studies on order-disorder phase transitions of p-terphenyl and p-terphenyl-d14, Bull. Chem. Soc. Japan, 1988, 61, 2327-2336. [all data]

Chang, 1983
Chang, S.S., Heat capacity and thermodynamic properties of p-terphenyl: study of order-disorder transition by automated high-resolution adiabatic calorimetry, J. Chem. Phys., 1983, 79, 6229-6236. [all data]

Wasicki, Radomska, et al., 1982
Wasicki, J.; Radomska, M.; Radomski, R., Heat capacities of diphenyl, p-terphenyl and p-quaterphenyl from 180 K to their melting points, J. Therm. Anal., 1982, 25, 509-514. [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]

Wasicki, Radomska, et al., 1982, 2
Wasicki, J.; Radomska, M.; Radomski, R., Heat capacities of diphenyl, p-terphenyl and p-quaterphenyl from 180 K to their melting points, J. Therm. Anal., 1982, 25, 509. [all data]

Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W., Study of Organic Scintillators, J. Chem. Phys., 1956, 24, 670. [all data]

Mikhailov and Aronovich, 1955
Mikhailov, B.M.; Aronovich, P.M., Preparation of p-terphenyl, Izv. Akad. Nauk SSSR, 1955, 1955, 945. [all data]

Ipatieff, Germain, et al., 1953
Ipatieff, V.N.; Germain, J.E.; Pines, H., The Structure of Di-(methylcyclohexyl)-benzene from Cycloalkylation of 4-Methylcyclohexane with Benzene in the Presence of Hydrogen Fluoride, J. Am. Chem. Soc., 1953, 75, 6056. [all data]

Chang, 1983, 2
Chang, Shu-Sing, Heat capacity and thermodynamic properties of p-terphenyl: Study of order--disorder transition by automated high-resolution adiabatic calorimetry, J. Chem. Phys., 1983, 79, 12, 6229, https://doi.org/10.1063/1.445727 . [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]

Zhao, Unhannanant, et al., 2008
Zhao, Hui; Unhannanant, Patamaporn; Hanshaw, William; Chickos, James S., Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects, J. Chem. Eng. Data, 2008, 53, 7, 1545-1556, https://doi.org/10.1021/je800091s . [all data]

Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank, Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons, J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148 . [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]

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]

Wakayama and Inokuchi, 1967
Wakayama, Nobuko; Inokuchi, Hiroo, Heats of Sublimation of Polycyclic Aromatic Hydrocarbons and Their Molecular Packings, Bull. Chem. Soc. Jpn., 1967, 40, 10, 2267-2271, https://doi.org/10.1246/bcsj.40.2267 . [all data]

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

Smith, 1979
Smith, G.W., Phase behavior of some linear polyphenyls, Mol. Cryst. Liq. Cryst., 1979, 49, 207-209. [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Cailleau and Dworkin, 1979
Cailleau, H.; Dworkin, A., Calorimetric study of the phase transition of para-terphenyl, Mol. Cryst. Liq. Cryst., 1979, 50, 217-222. [all data]

Hino, Seki, et al., 1975
Hino, S.; Seki, K.; Inokuchi, H., Photoelectron spectra of p-terphenyl in gaseous and solid states, Chem. Phys. Lett., 1975, 36, 335. [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]

Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C., Measurement of ionization potentials from contact charge transfer spectra, Nature, 1967, 215, 949. [all data]

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

Timmons and Perkins, 1966
Timmons, C.J.; Perkins, M.J., UV atlas of organic compounds, 1966, 2, D10/79. [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