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Phenol, 2,6-dimethyl-

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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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-37.64kcal/molN/ALebedev, Vasil'ev, et al., 1996Value computed using «DELTA»fHsolid° value of -233.1±2.9 kj/mol from Lebedev, Vasil'ev, et al., 1996 and «DELTA»subH° value of 75.6 kj/mol from Andon, Biddiscombe, et al., 1960.; DRB
Deltafgas-41.68kcal/molN/ALindberg, Jauhiainen, et al., 1972Value computed using «DELTA»fHsolid° value of -250.0 kj/mol from Lindberg, Jauhiainen, et al., 1972 and «DELTA»subH° value of 75.6 kj/mol from Andon, Biddiscombe, et al., 1960.; DRB
Deltafgas-38.68 ± 0.13kcal/molCcbAndon, Biddiscombe, et al., 1960ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.2950.Kudchadker S.A., 1979GT
15.99100.
21.78150.
27.070200.
34.673273.15
37.278298.15
37.471300.
47.457400.
56.102500.
63.231600.
69.099700.
73.984800.
78.102900.
81.6041000.
84.6011100.
87.1751200.
89.3931300.
91.3151400.
92.9801500.

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-55.71 ± 0.69kcal/molCcbLebedev, Vasil'ev, et al., 1996 
Deltafsolid-59.7kcal/molCcbLindberg, Jauhiainen, et al., 1972 
Deltafsolid-56.75 ± 0.26kcal/molCcbAndon, Biddiscombe, et al., 1960 
Quantity Value Units Method Reference Comment
Deltacsolid-1038.3 ± 0.69kcal/molCcbLebedev, Vasil'ev, et al., 1996Corresponding «DELTA»fsolid = -55.69 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-1033.8kcal/molCcbLindberg, Jauhiainen, et al., 1972Corresponding «DELTA»fsolid = -60.2 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacsolid-1037.25 ± 0.24kcal/molCcbAndon, Biddiscombe, et al., 1960Corresponding «DELTA»fsolid = -56.73 kcal/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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil474. ± 2.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus320. ± 3.KAVGN/AAverage of 13 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tc700.95KN/AAmbrose, 1963Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap18.00kcal/molN/AMajer and Svoboda, 1985 
Deltavap18.1kcal/molN/AMorawetz, 1971AC
Deltavap17.9kcal/molN/AMorawetz, Elvebredd, et al., 1968AC
Quantity Value Units Method Reference Comment
Deltasub18.1kcal/molN/AMorawetz, 1971AC
Deltasub17.9kcal/molN/AMorawetz, Elvebredd, et al., 1968Author of Morawetz, Elvebredd, et al., 1968 refers to the determined value as the enthalpy of vaporization even though the compound is a solid; AC
Deltasub18.07 ± 0.04kcal/molVAndon, Biddiscombe, et al., 1960ALS
Deltasub18.1kcal/molN/AAndon, Biddiscombe, et al., 1960DRB
Deltasub14.2 ± 0.2kcal/molVWolf and Weghofer, 1938ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
11.6432.A,GS,EBStephenson and Malanowski, 1987Based on data from 417. - 476. K. See also Andon, Biddiscombe, et al., 1960, 2.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
418.0 - 476.674.203741638.455-84.416Andon, Biddiscombe, et al., 1960Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
18.1 ± 0.041277. - 313.GSAndon, Biddiscombe, et al., 1960, 2See also Cox and Pilcher, 1970.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
4.5165318.9N/APoeti, Fanelli, et al., 1982DH
4.500318.6DSCJamróz, Palczewska-Tulinska, et al., 1998AC
4.52318.9N/AAcree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
14.16318.9Poeti, Fanelli, 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

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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-1844
NIST MS number 228776

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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.

Lebedev, Vasil'ev, et al., 1996
Lebedev, B.V.; Vasil'ev, V.G.; Bykova, T.A.; Kiparisova, E.G.; Wunderliche, B., Thermodynamics of 2,6-dimethylphenol, of the reaction of its oxidative dehydropolycondensation, and of the resultant poly(2,6-dimethyl-p-phenylene oxide)at 0-600 K, Vysokomol. Soedin., Ser. A, 1996, 38, 216-225. [all data]

Andon, Biddiscombe, et al., 1960
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols, J. Chem. Soc., 1960, 5246-5254. [all data]

Lindberg, Jauhiainen, et al., 1972
Lindberg, J.J.; Jauhiainen, T.P.; Savolainen, A., Oxidative coupling of 2,6-disubstituted phenols and the heat of combustion of the resulting products, Pap. Puu, 1972, 54, 91-93. [all data]

Kudchadker S.A., 1979
Kudchadker S.A., Property data available for coal chemicals, Hydrocarbon Process., 1979, 58, 169-171. [all data]

Ambrose, 1963
Ambrose, D., Critical Temperatures of Some Phenols and Other Organic Compounds, Trans. Faraday Soc., 1963, 59, 1988. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Morawetz, 1971
Morawetz, E., Chem. Scr., 1971, 1, 103. [all data]

Morawetz, Elvebredd, et al., 1968
Morawetz, Ernst; Elvebredd, I.; Brunvoll, J.; Hagen, G.; Paasivirta, Jaakko, A Non-Equilibrium Low Vapor Pressure Heat of Vaporization Calorimeter. Part I. Vapor Pressure Range 200-10^-3 mm Hg., Acta Chem. Scand., 1968, 22, 1509-1531, https://doi.org/10.3891/acta.chem.scand.22-1509 . [all data]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [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]

Andon, Biddiscombe, et al., 1960, 2
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F., 1009. Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols, J. Chem. Soc., 1960, 5246, https://doi.org/10.1039/jr9600005246 . [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Poeti, Fanelli, et al., 1982
Poeti, G.; Fanelli, E.; Braghetti, M., A differential scanning calorimetric study of some phenol derivatives, J. Therm. Anal., 1982, 24(2), 273-279. [all data]

Jamróz, Palczewska-Tulinska, et al., 1998
Jamróz, Malgorzata E.; Palczewska-Tulinska, Marcela; Wyrzykowska-Stankiewicz, Danuta; Szafranski, Andrzej M.; Polaczek, Jerzy; Dobrowolski, Jan Cz.; Jamróz, Michal H.; Mazurek, Aleksander P., The urea--phenol(s) systems, Fluid Phase Equilibria, 1998, 152, 2, 307-326, https://doi.org/10.1016/S0378-3812(98)90206-0 . [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]


Notes

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