Phenol, 3-methyl-

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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:
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
Δfliquid-193.3kJ/molCcbCox, 1961ALS
Δfliquid-194.1 ± 1.1kJ/molCcbAndon, Biddiscombe, et al., 1960ALS
Δfliquid-177.kJ/molCcbPushin, 1954Author's hf298_condensed=-44.4 kcal/mol; ALS
Δfliquid-193.5kJ/molCcbBadoche, 1941Author's hf298_condensed=-48.97 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-3704.7 ± 0.3kJ/molCcbCox, 1961Corresponding Δfliquid = -193.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3703.9 ± 0.59kJ/molCcbAndon, Biddiscombe, et al., 1960Corresponding Δfliquid = -194.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3721.kJ/molCcbPushin, 1954Author's hf298_condensed=-44.4 kcal/mol; Corresponding Δfliquid = -177. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3704.4kJ/molCcbBadoche, 1941Author's hf298_condensed=-48.97 kcal/mol; Corresponding Δfliquid = -193.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-3694.kJ/molCcbBarker, 1925Author was aware that data differs from previously reported values; Corresponding Δfliquid = -203. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid212.59J/mol*KN/AAndon, Counsell, et al., 1967DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
224.93298.15Andon, Counsell, et al., 1967T = 10 to 400 K.; DH
220.993.Rastorguev and Ganiev, 1967T = 293 to 373 K.; DH
218.8298.Tschamler and Krischai, 1951DH
216.7283.Bramley, 1916Mean value, 0 to 20 C.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
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
Tboil475.2 ± 0.9KAVGN/AAverage of 18 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus284. ± 4.KAVGN/AAverage of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple285.40KN/AAndon, Counsell, et al., 1967, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc705.8KN/ADelaunois, 1968Uncertainty assigned by TRC = 0.4 K; TRC
Tc705.75KN/AAmbrose, 1963Uncertainty assigned by TRC = 0.45 K; TRC
Tc705.15KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 2. K; TRC
Tc705.0KN/AGuye and Mallet, 1902Uncertainty assigned by TRC = 2.5 K; TRC
Tc705.15KN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 2. K; accomipanied by some decomposition; TRC
Quantity Value Units Method Reference Comment
Pc43.60barN/ADelaunois, 1968Uncertainty assigned by TRC = 5.884 bar; TRC
Pc45.5963barN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 3.0398 bar; TRC
Pc45.60barN/AGuye and Mallet, 1902Uncertainty assigned by TRC = 0.9119 bar; TRC
Pc45.5456barN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 1.5199 bar; TRC
Pc45.6469barN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 1.5199 bar; TRC
Quantity Value Units Method Reference Comment
Δvap60. ± 10.kJ/molAVGN/AAverage of 8 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
63.1300.AStephenson and Malanowski, 1987Based on data from 285. to 416. K.; AC
52.7425.AStephenson and Malanowski, 1987Based on data from 410. to 477. K.; AC
47.6486.AStephenson and Malanowski, 1987Based on data from 471. to 531. K.; AC
43.8538.AStephenson and Malanowski, 1987Based on data from 523. to 633. K.; AC
55.0398.GS,EBStephenson and Malanowski, 1987Based on data from 383. to 473. K. See also Andon, Biddiscombe, et al., 1960, 2.; AC
60.6409.GSNasir, Hwang, et al., 1980Based on data from 388. to 429. K. See also Kkykj and Repas, 1973.; AC
58.8374.N/Avon Terres, Gebert, et al., 1955Based on data from 359. to 473. K. See also Boublik, Fried, et al., 1984.; AC
50.7448.N/AGoldblum, Martin, et al., 1947Based on data from 422. to 474. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
422.7 to 474.34.601571833.137-76.414Goldblum, Martin, et al., 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
56.1279.AStephenson and Malanowski, 1987Based on data from 273. to 285. K.; AC
61.7 ± 1.0284. to 313.GSAndon, Biddiscombe, et al., 1960, 2AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
9.100280.75N/AMeva'a and Lichanot, 1990DH
9.413285.0N/APoeti, Fanelli, et al., 1982DH
10.707285.40N/AAndon, Counsell, et al., 1967DH
8.9282.3DSCRichard, Bernardes, et al., 2007AC
10.67285.3DSCJamróz, Palczewska-Tulinska, et al., 1998AC
10.71285.4N/ADomalski and Hearing, 1996AC
9.1280.8N/AMeva'a and Lichanot, 1990AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
32.280.75Meva'a and Lichanot, 1990DH
33.03285.0Poeti, Fanelli, et al., 1982DH
27.53285.40Andon, Counsell, et al., 1967DH

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:


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes

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

Cox, 1961
Cox, J.D., The heats of combustion of phenol and the three cresols, Pure Appl. Chem., 1961, 2, 125-128. [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]

Pushin, 1954
Pushin, N.A., Heats of combustion and heats of formation of isomeric organic compounds, Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]

Badoche, 1941
Badoche, M., No 19. - Chaleurs de combustion du phenol, du-m-cresol et del leurs ethers; par M. Marius BADOCHE., Bull. Soc. Chim. Fr., 1941, 8, 212-220. [all data]

Barker, 1925
Barker, M.F., Calorific value and constitution, J. Phys. Chem., 1925, 29, 1345-1363. [all data]

Andon, Counsell, et al., 1967
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic properties of organic oxygen compounds. Part 17. Low-temperature heat capacity and entropy of the cresols, Trans. Faraday Soc., 1967, 63, 1115-1121. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Tschamler and Krischai, 1951
Tschamler, H.; Krischai, H., Chinolin-m-Kresol, ein stark negatives System, Monatsh. Chem., 1951, 82, 259-270. [all data]

Bramley, 1916
Bramley, A., The study of binary mixtures. Part IV. Heats of reaction and specific heats, J. Chem. Soc. (London), 1916, 109, 496-515. [all data]

Andon, Counsell, et al., 1967, 2
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic Properties of Organic Oxygen Compounds Part 17. Low- temperature Heat Capacity and Entropy of the Cresols, Trans. Faraday Soc., 1967, 63, 1115. [all data]

Delaunois, 1968
Delaunois, C., Effect of the Filling Rate of a Reactor on the Vapor Tension and the Temperature at the Beginning of Cracking of Phenols at High Pressures, Ann. Mines Belg., 1968, No. 1, 9-16. [all data]

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

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Guye and Mallet, 1902
Guye, P.A.; Mallet, E., Critical Constant and Molecular Complexity of Several Organic Compds., C. R. Hebd. Seances Acad. Sci., 1902, 133, 168. [all data]

Guye and Mallet, 1902, 2
Guye, P.A.; Mallet, E., Measurement of Critical Constants, Arch. Sci. Phys. Nat., 1902, 13, 274-296. [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]

Nasir, Hwang, et al., 1980
Nasir, P.; Hwang, S.C.; Kobayashi, R., Development of an apparatus to measurement vapor pressures at high temperatures and its application to three higher-boiling compounds, J. Chem. Eng. Data, 1980, 25, 4, 298-301, https://doi.org/10.1021/je60087a009 . [all data]

Kkykj and Repas, 1973
Kkykj, J.; Repas, M., Petrochemia, 1973, 13, 179. [all data]

von Terres, Gebert, et al., 1955
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W., Brennst.-Chem., 1955, 36, 272. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Goldblum, Martin, et al., 1947
Goldblum, K.B.; Martin, R.W.; Young, R.B., Vapor Pressure Data for Phenols, Ind. Eng. Chem., 1947, 39, 11, 1474-1476, https://doi.org/10.1021/ie50455a017 . [all data]

Meva'a and Lichanot, 1990
Meva'a, L.M.; Lichanot, A., Proprietes thermodynamiques en phase condensee des ortho, meta et para fluorotoluene, cresol et toluidine, Thermochim. Acta, 1990, 158, 335-345. [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]

Richard, Bernardes, et al., 2007
Richard, Laurence S.; Bernardes, Carlos E.S.; Diogo, Hermínio P.; Leal, João P.; Minas da Piedade, Manuel E., Energetics of Cresols and of Methylphenoxyl Radicals, J. Phys. Chem. A, 2007, 111, 35, 8741-8748, https://doi.org/10.1021/jp073515m . [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, References