Benzene, (1-methylethyl)-

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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 as indicated in comments:
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
Δfgas0.94 ± 0.26kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Quantity Value Units Method Reference Comment
gas92.383cal/mol*KN/AKishimoto K., 1973GT

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-9.85 ± 0.26kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Quantity Value Units Method Reference Comment
Δcliquid-1246.52 ± 0.23kcal/molCcbProsen, Gilmont, et al., 1945Hf by Prosen, Johnson, et al., 1946; Corresponding Δfliquid = -9.83 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1247.3kcal/molCcbRichards and Barry, 1915At 291 K; Corresponding Δfliquid = -9.08 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid66.341cal/mol*KN/AKishimoto, Suga, et al., 1973DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
51.24295.96Andolenko and Grigor'ev, 1979T = 296 to 413 K. Unsmoothed experimental datum given as 1.784 kJ/kg*K.; DH
51.482298.15Kishimoto, Suga, et al., 1973T = 14 to 314 K. Glass, 14 to 126 K.; DH
50.050299.8Schlinger and Sage, 1952T = 300 to 366 K.; DH
50.91298.Kurbatov, 1947T = 16 to 153°C, mean Cp, four temperatures.; DH
47.49302.0de Kolossowsky and Udowenko, 1934DH
47.49302.0Kolosovskii and Udovenko, 1934DH

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:
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil425. ± 1.KAVGN/AAverage of 58 out of 64 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus177.0 ± 0.7KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple177.13KN/AKishimoto, Suga, et al., 1973, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Tc631.0 ± 0.5KN/ATsonopoulos and Ambrose, 1995 
Tc631.1KN/AAmbrose and Grant, 1957Uncertainty assigned by TRC = 0.15 K; TRC
Tc624.55KN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 2. K; TRC
Tc635.9KN/AAltschul, 1893Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Pc31.7 ± 0.4atmN/ATsonopoulos and Ambrose, 1995 
Pc31.67atmN/AAmbrose, Broderick, et al., 1967Uncertainty assigned by TRC = 0.06 atm; TRC
Pc27.5000atmN/AGlaser and Ruland, 1957Uncertainty assigned by TRC = 1.5000 atm; TRC
Pc31.19atmN/AAltschul, 1893Uncertainty assigned by TRC = 0.0580 atm; TRC
Quantity Value Units Method Reference Comment
ρc2.32mol/lN/AHales and Townsend, 1972Uncertainty assigned by TRC = 0.008 mol/l; from fit of obs data to 490 K to Rideal's equation; TRC
Quantity Value Units Method Reference Comment
Δvap11. ± 1.kcal/molAVGN/AAverage of 9 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.85364.N/ACepeda, Gonzalez, et al., 1989Based on data from 349. to 426. K.; AC
10.1354.AStephenson and Malanowski, 1987Based on data from 339. to 433. K.; AC
10.0358.MMForziati, Norris, et al., 1949Based on data from 343. to 426. K. See also Willingham, Taylor, et al., 1945.; 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
343.17 to 426.524.048481455.811-65.948Williamham, Taylor, et al., 1945

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.751177.13Kishimoto, Suga, et al., 1973DH
1.75177.1Kishimoto, Suga, et al., 1973AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
9.885177.13Kishimoto, Suga, et al., 1973DH
9.888177.1Kishimoto, Suga, et al., 1973, 2CAL

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.

Prosen, Gilmont, et al., 1945
Prosen, E.J.; Gilmont, R.; Rossini, F.D., Heats of combustion of benzene, toluene, ethyl-benzene, o-xylene, m-xylene, p-xylene, n-propylbenzene, and styrene, J. Res. NBS, 1945, 34, 65-70. [all data]

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes, J. Res. NBS, 1946, 36, 455-461. [all data]

Kishimoto K., 1973
Kishimoto K., Calorimetric study of the glassy state. VIII. Heat capacity and relaxational phenomena of isopropylbenzene, Bull Chem. Soc. Japan, 1973, 46, 3020-3031. [all data]

Richards and Barry, 1915
Richards, T.W.; Barry, F., The heats of combustion of aromatic hydrocarbons and hexamethylene, J. Am. Chem. Soc., 1915, 37, 993-1020. [all data]

Kishimoto, Suga, et al., 1973
Kishimoto, K.; Suga, H.; Syuzo, S., Calorimetric study of the glassy state. VIII. Heat capacity and relaxational phenomena of isopropylbenzene, Bull. Chem. Soc. Japan, 1973, 46, 3020-3031. [all data]

Andolenko and Grigor'ev, 1979
Andolenko, R.A.; Grigor'ev, B.A., Investigation of isobaric heat capacity of aromatic hydrocarbons at atmospheric pressure, Iaz. Vyssh. Ucheb. Zaved., Neft i Gaz (11), 1979, 78, 90. [all data]

Schlinger and Sage, 1952
Schlinger, W.G.; Sage, B.H., Isobaric heat capacities at bubble point. cis-2-butene, isopropylbenzene, and n-decane, Ind. Eng. Chem., 1952, 44, 2454-2456. [all data]

Kurbatov, 1947
Kurbatov, V.Ya., Specific heat of liquids. I. Specific heat of benzenoid hydrocarbons, Zhur. Obshch. Khim., 1947, 17, 1999-2003. [all data]

de Kolossowsky and Udowenko, 1934
de Kolossowsky, N.; Udowenko, W.W., Determination des chaleurs specifiques des liquides, Compt. rend., 1934, 198, 1394-1395. [all data]

Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W., Specific heat of liquids. II., Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]

Kishimoto, Suga, et al., 1973, 2
Kishimoto, K.; Suga, H.; Seki, S., Calorimetric Study of the Glassy State. VIII. Heat Capacity and Relaxational Phenomena of Isopropylbenzene, Bull. Chem. Soc. Japan, 1973, 46, 10, 3020, https://doi.org/10.1246/bcsj.46.3020 . [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Ambrose and Grant, 1957
Ambrose, D.; Grant, D.G., The Critical Temperatures of Some Hydrocarbons and Pyridine Bases, Trans. Faraday Soc., 1957, 53, 771. [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]

Altschul, 1893
Altschul, M., The critical values of some organic compounds, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1893, 11, 577. [all data]

Ambrose, Broderick, et al., 1967
Ambrose, D.; Broderick, B.E.; Townsend, R., The Vapour Pressures above the Normal Boiling Point and the Critical Pressures of Some Aromatic Hydrocarbons, J. Chem. Soc. , 1967, 1967, 1967, 633-41. [all data]

Hales and Townsend, 1972
Hales, J.L.; Townsend, R., Liquid Densities from 293 to 490 K of Nine Aromatic Hydrocarbons, J. Chem. Thermodyn., 1972, 4, 763-72. [all data]

Cepeda, Gonzalez, et al., 1989
Cepeda, Emilio; Gonzalez, Cristina; Resa, Jose M., Isobaric vapor-liquid equilibrium for the cumene-phenol system, J. Chem. Eng. Data, 1989, 34, 3, 270-273, https://doi.org/10.1021/je00057a004 . [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]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]


Notes

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