1,1':3',1''-Terphenyl, 5'-phenyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change 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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas371.8 ± 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.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change 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 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
Δfsolid222. ± 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
Δfsolid224.6 ± 5.4kJ/molCcbRichardson and Parks, 1939Reanalyzed by Cox and Pilcher, 1970, Original value = 221.4 kJ/mol; see Richardson, 1939; ALS
Quantity Value Units Method Reference Comment
Δcsolid-12241.3 ± 5.3kJ/molCcbRichardson and Parks, 1939Reanalyzed by Cox and Pilcher, 1970, Original value = -12236.1 kJ/mol; see Richardson, 1939; Corresponding Δfsolid = 224.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar375.5J/mol*KN/ALebedev, Bykova, et al., 1982DH
solid,1 bar367.4J/mol*KN/AParks, Todd, et al., 1936Extrapolation below 90 K, 114.64 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
361.0298.15Lebedev, Bykova, et al., 1982T = 13.8 to 480 K.; DH
358.32298.1Parks, Todd, et al., 1936T = 90 to 300 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 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
Tboil733.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus450.1KN/ASangster and Irvine, 1956Uncertainty assigned by TRC = 4. K; TRC
Tfus448.KN/ABaxter and Hale, 1936Uncertainty assigned by TRC = 0.3 K; TRC
Tfus444.KN/AParks, Todd, et al., 1936, 2Uncertainty assigned by TRC = 1.5 K; TRC
Tfus446.KN/AAdkins, Zartman, et al., 1931Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Ttriple446.KN/ALebedev, Bykova, et al., 1982, 2Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Δvap133.4 ± 2.0kJ/molGCGHanshaw, Nutt, et al., 2008AC
Δvap140.kJ/molCGCChickos, Hesse, et al., 1998AC
Quantity Value Units Method Reference Comment
Δsub149. ± 6.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
77.5515.AStephenson and Malanowski, 1987Based on data from 500. to 735. K. See also Vohra, Kang, et al., 1962.; AC
118.469.AStephenson and Malanowski, 1987Based on data from 454. to 500. K. See also Malaspina, Bardi, et al., 1974.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
453.99 to 499.990.80427684.343-316.422Malaspina, Bardi, et al., 1974Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
141.2 ± 0.7418.MERibeiro da Silva, Monte, et al., 2006Based on data from 407. to 429. K.; AC
145.6 ± 0.9376.TVerevkin, 1997Based on data from 364. to 388. K.; AC
142.425.MEMalaspina, Bardi, et al., 1974Based on data from 410. to 444. K. See also Stephenson and Malanowski, 1987.; AC
142.2422.MEWakayama and Inokuchi, 1967Based on data from 384. to 400. K.; AC
164.4 ± 4.2363.VHoyer and Peperle, 1958Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 141. kJ/mol; ALS

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
33.400446.N/ALebedev, Bykova, et al., 1982DH
32.6445.2DSCVerevkin, 1997AC
33.4446.N/ALebedev, Bykova, et al., 1982, 2AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
75.1446.Lebedev, Bykova, et al., 1982DH

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:


IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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-9573
NIST MS number 228998

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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]

Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S., Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen, J. Am. Chem. Soc., 1939, 61, 3543-3546. [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]

Richardson, 1939
Richardson, J.W., Precise determination of the heats of combustion of some representative organic compounds, Ph.D. Thesis for Standford University, 1939, 1-122. [all data]

Lebedev, Bykova, et al., 1982
Lebedev, B.V.; Bykova, T.A.; Smirnova, N.N.; Kulagina, T.G., Thermodynmics of phenylacetylene, its cyclotrimerization, and the resulting 1,3,5-triphenylbenzene at 0-480 K, Zhur. Obshch. Khim., 1982, 52, 2630-2636. [all data]

Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Moore, W.A., Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds, J. Am. Chem. Soc., 1936, 58, 398-401. [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]

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

Baxter and Hale, 1936
Baxter, G.P.; Hale, A.H., A Revision of the Atomic Weight of Carbon, J. Am. Chem. Soc., 1936, 58, 510. [all data]

Parks, Todd, et al., 1936, 2
Parks, G.S.; Todd, S.S.; Shomate, C.H., Thermal data on organic compounds. XVII. Some heat capacity, entropy and free energy data for five higher olefins, J. Am. Chem. Soc., 1936, 58, 2505. [all data]

Adkins, Zartman, et al., 1931
Adkins, H.; Zartman, W.H.; Cramer, H., The Hydrogention of Certain Branched Compounds Over Nickel, J. Am. Chem. Soc., 1931, 53, 1425. [all data]

Lebedev, Bykova, et al., 1982, 2
Lebedev, B.V.; Bykova, T.A.; Smirnova, N.N.; Kulagina, T.G., Zh. Obshch. Khim., 1982, 52, 2630. [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]

Chickos, Hesse, et al., 1998
Chickos, James; Hesse, Donald; Hosseini, Sarah; Nichols, Gary; Webb, Paul, Sublimation enthalpies at 298.15K using correlation gas chromatography and differential scanning calorimetry measurements, Thermochimica Acta, 1998, 313, 2, 101-110, https://doi.org/10.1016/S0040-6031(97)00432-2 . [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]

Vohra, Kang, et al., 1962
Vohra, S.P.; Kang, T.L.; Kobe, K.A.; McKetta, J.J., P-V-T Properties of Propyne., J. Chem. Eng. Data, 1962, 7, 1, 150-155, https://doi.org/10.1021/je60012a044 . [all data]

Malaspina, Bardi, et al., 1974
Malaspina, L.; Bardi, G.; Gigli, R., Simultaneous determination by knudsen-effusion microcalorimetric technique of the vapor pressure and enthalpy of vaporization of pyrene and 1,3,5-triphenylbenzene, The Journal of Chemical Thermodynamics, 1974, 6, 11, 1053-1064, https://doi.org/10.1016/0021-9614(74)90067-6 . [all data]

Ribeiro da Silva, Monte, et al., 2006
Ribeiro da Silva, Manuel A.V.; Monte, Manuel J.S.; Santos, Luís M.N.B.F., The design, construction, and testing of a new Knudsen effusion apparatus, The Journal of Chemical Thermodynamics, 2006, 38, 6, 778-787, https://doi.org/10.1016/j.jct.2005.08.013 . [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., Dampfdrunkmessungen an organischen substanzen und ihre sublimationswarmen, Z. Electrochem., 1958, 62, 61-66. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]


Notes

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