Benzene, (1-methylethyl)-

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Phase change data

Go To: Top, 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:
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., 1973Uncertainty 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., 1973, 2DH
1.75177.1Kishimoto, Suga, et al., 1973, 2AC

Entropy of fusion

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

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, 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, 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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 114201

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, 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.

Kishimoto, Suga, et al., 1973
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]

Kishimoto, Suga, et al., 1973, 2
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]


Notes

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