Phenol, 2-ethyl-

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

Quantity Value Units Method Reference Comment
Δfgas-34.71kcal/molCcbBertholon, Giray, et al., 1971 

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

Quantity Value Units Method Reference Comment
Δfliquid-49.91kcal/molCcbBertholon, Giray, et al., 1971 
Quantity Value Units Method Reference Comment
Δcliquid-1044.07kcal/molCcbBertholon, Giray, et al., 1971Corresponding Δfliquid = -49.91 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Gas phase thermochemistry data, 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:
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.

Quantity Value Units Method Reference Comment
Tboil478. ± 7.KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus280. ± 100.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tc702.95KN/AAmbrose, 1963Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Δvap15.4kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 393. to 433. K.; AC
Δvap15.20kcal/molCBertholon, Giray, et al., 1971ALS
Δvap15.2kcal/molN/ABertholon, Giray, et al., 1971DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.1438.A,GS,EBStephenson and Malanowski, 1987Based on data from 423. to 491. K. See also Biddiscombe, Handley, et al., 1963.; AC
15.2292.A,GS,EBStephenson and Malanowski, 1987Based on data from 277. to 318. K. See also Biddiscombe, Handley, et al., 1963.; AC
12.3374.N/Avon Terres, Gebert, et al., 1955Based on data from 359. to 480. K.; AC
12.3348.N/AStage, Müller, et al., 1953Based on data from 321. to 492. K.; AC
11.8373.N/AStage, Müller, et al., 1953Based on data from 321. to 492. K.; AC
11.6398.N/AStage, Müller, et al., 1953Based on data from 321. to 492. K.; AC
11.2423.N/AStage, Müller, et al., 1953Based on data from 321. to 492. K.; AC
10.3473.N/AStage, Müller, et al., 1953Based on data from 321. to 492. K.; 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
423.57 to 491.194.127031549.245-102.272Biddiscombe, Handley, et al., 1963, 2Coefficents calculated by NIST from author's data.
359. to 480.75.317412469.434-16.292von Terres, Gebert, et al., 1955, 2Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
19.2 ± 0.1278. to 317.GSBiddiscombe, Handley, et al., 1963See also Cox and Pilcher, 1970 and Stephenson and Malanowski, 1987.; AC

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, Gas phase thermochemistry data, 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.

Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F., No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols, Bull. Soc. Chim. France, 1971, 3180-3187. [all data]

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

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [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]

Biddiscombe, Handley, et al., 1963
Biddiscombe, D.P.; Handley, R.; Harrop, D.; Head, A.J.; Lewis, G.B.; Martin, J.F.; Sprake, C.H.S., 1099. Thermodynamic properties of organic oxygen compounds. Part XIII. Preparation and physical properties of pure ethylphenols, J. Chem. Soc., 1963, 5764, https://doi.org/10.1039/jr9630005764 . [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]

Stage, Müller, et al., 1953
Stage, H.; Müller, E.; Faldix, P., Erdol u Kohle, 1953, 6, 375. [all data]

Biddiscombe, Handley, et al., 1963, 2
Biddiscombe, D.P.; Handley, R.; Harrop, D.; Head, A.J.; Lewis, G.B.; Martin, J.F.; Sprake, C.H.S., Thermodynamic properties of organic oxygen compounds. Part XIII. Preparation and physical properties of pure ethylphenols, J. Chem. Soc., 1963, 5764-5768. [all data]

von Terres, Gebert, et al., 1955, 2
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W., Zur Kenntnis der physikalisch-chemischen Grundlagen der Gewinnung und Zerlegung der Phenolfraktionen von Steinkohlenteer und Braunkohlenschwelteer. IV. Mitteilung Die Dampfdrucke von Phenol und Phenolderivaten, Brennst.-Chem., 1955, 36, 272-274. [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]


Notes

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