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1,1':4',1'':4'',1'''-Quaterphenyl

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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
Deltafgas400. ± 11.kJ/molReviewRoux, Temprado, et al., 2008There are insufficient literature values to properly evaluate the data and insufficient information to construct thermochemical cycles or estimate values for comparison, and one must rely solely upon reported uncertainities and the quality of the measurements. In general, the evaluated uncertainty limits are on the order of (3 to 9) kJ/mol.; DRB
Deltafgas382. ± 7.5kJ/molCcbBalepin, Lebedev, et al., 1977ALS

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:
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
Deltafsolid227. ± 7.0kJ/molReviewRoux, Temprado, et al., 2008There are insufficient literature values to properly evaluate the data and insufficient information to construct thermochemical cycles or estimate values for comparison, and one must rely solely upon reported uncertainities and the quality of the measurements. In general, the evaluated uncertainty limits are on the order of (3 to 9) kJ/mol.; DRB
Deltafsolid227. ± 6.3kJ/molCcbBalepin, Lebedev, et al., 1977ALS
Quantity Value Units Method Reference Comment
Deltacsolid-12244. ± 6.3kJ/molCcbBalepin, Lebedev, et al., 1977Corresponding «DELTA»fsolid = 227. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar363.64J/mol*KN/ASaito, Atake, et al., 1985DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
362.52298.15Saito, Atake, et al., 1985T = 3 to 300 K.; DH
340.300.Wasicki, Radomska, et al., 1982T = 180 to 600 K. Data given graphically. Value estimated from graph.; DH

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
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
Tfus586.7KN/AWasicki, Radomska, et al., 1982, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC
Tfus587.2KN/ASmith, 1979Uncertainty assigned by TRC = 0.5 K; TRC
Tfus576.KN/APines and Kolobielski, 1957Uncertainty assigned by TRC = 2. K; TRC
Tfus581.6KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 4. K; TRC
Tfus591.KN/AVdovtsova and Tsukervanik, 1954Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Deltavap136.1 ± 1.6kJ/molCGCHanshaw, Nutt, et al., 2008AC
Quantity Value Units Method Reference Comment
Deltasub172.5 ± 8.4kJ/molReviewRoux, Temprado, et al., 2008There are insufficient literature values to properly evaluate the data and insufficient information to construct thermochemical cycles or estimate values for comparison, and one must rely solely upon reported uncertainities and the quality of the measurements. In general, the evaluated uncertainty limits are on the order of (3 to 9) kJ/mol.; DRB
Deltasub156. ± 1.kJ/molVBalepin, Lebedev, et al., 1977ALS
Deltasub155.0kJ/molN/ABalepin, Lebedev, et al., 1977DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
701.20.024Weast and Grasselli, 1989BS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
37.800587.2Smith, 1979, 2DH
57.600586.7Wasicki, Radomska, et al., 1982DH
37.8587.2Saito, Atake, et al., 1985See also Acree, 1991.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
64.4587.2Smith, 1979, 2DH
98.2586.7Wasicki, Radomska, et al., 1982DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.414233.0crystaline, IIcrystaline, ISaito, Atake, et al., 1985Transition region 180 to 270 K.; DH
1.100190. - 260.crystaline, IIIcrystaline, IIWasicki, Radomska, et al., 1982DH
1.000450. - 540.crystaline, IIcrystaline, IWasicki, Radomska, et al., 1982DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.82233.0crystaline, IIcrystaline, ISaito, Atake, et al., 1985Transition; 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

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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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.660 ± 0.020LPESNakamura, Ando, et al., 2006B

Ionization energy determinations

IE (eV) Method Reference Comment
8.08 ± 0.05EIGallegos, 1967RDSH

IR 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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin ANDERSON PHYSICAL LABORATORY
Source reference COBLENTZ NO. 2611
Date Not specified, most likely prior to 1970
State SOLID (1.0% IN KBr PELLET)
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 0.0355 CM THICK
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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 W.BEYRICH, J.N.R.C., ISPRA, ITALY
NIST MS number 14548

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. 19834
Instrument Unicam SP 700
Melting point 318-319

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., 1985
Saito, K.; Atake, T.; Chihara, H., Molar heat capacity and thermodynamic properties of p-quaterphenyl, J. Chem. Thermodynam., 1985, 17, 539-548. [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]

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]

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

Pines and Kolobielski, 1957
Pines, H.; Kolobielski, M., Sodium-catalyzed Hydrogen Disporportionation of Phenylcyclohexene. Dehydrogenation and Condensation of Phenylcyclohexane, J. Am. Chem. Soc., 1957, 79, 1698. [all data]

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

Vdovtsova and Tsukervanik, 1954
Vdovtsova, E.A.; Tsukervanik, I.P., Condensation of Phenylaluminum Diiodide with Aromatic Halogen Compounds, Zh. Obshch. Khim., 1954, 24, 558. [all data]

Hanshaw, Nutt, et al., 2008
Hanshaw, William; Nutt, Marjorie; Chickos, James S., Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons, J. Chem. Eng. Data, 2008, 53, 8, 1903-1913, https://doi.org/10.1021/je800300x . [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]

Smith, 1979, 2
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]

Nakamura, Ando, et al., 2006
Nakamura, T.; Ando, N.; Matsumoto, Y.; Furuse, S.; Mitsui, M.; Nakajima, A., Adiabatic electron affinities of oligophenyls: Anion photoelectron spectroscopy and density functional theory study, Chem. Lett., 2006, 35, 8, 888-889, https://doi.org/10.1246/cl.2006.888 . [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, D10/82. [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