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Pentane, 2,2,4,4-tetramethyl-

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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:
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-57.71 ± 0.35kcal/molCmFuchs and Peacock, 1979ALS
Quantity Value Units Method Reference Comment
gas102.81cal/mol*KN/AFinke H.L., 1976GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
36.740200.Scott D.W., 1974Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT
47.550273.15
51.3 ± 0.2298.15
51.570300.
66.099400.
79.161500.
90.600600.
100.50700.
109.10800.
116.80900.
123.501000.
129.401100.
134.701200.
139.001300.
144.001400.
148.001500.

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
Deltacliquid-1462.2kcal/molCcbShtekher, Skuratov, et al., 1959Corresponding «DELTA»fliquid = -67.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1462.4kcal/molCcbSkuratov, Kozina, et al., 1958Corresponding «DELTA»fliquid = -67.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1462.69 ± 0.31kcal/molCcbJohnson, Prosen, et al., 1947Corresponding «DELTA»fliquid = -66.92 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid79.30cal/mol*KN/AFinke, Messerly, et al., 1976DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
63.65298.15Finke, Messerly, et al., 1976T = 10 to 400 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil395.4 ± 0.7KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus207. ± 1.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple206.61KN/AFinke, Messerly, et al., 1976, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc574.6 ± 0.5KN/ADaubert, 1996 
Tc574.65KN/AAmbrose and Townsend, 1968Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Pc24.6 ± 0.4atmN/ADaubert, 1996 
Pc24.53atmN/AAmbrose and Townsend, 1968Uncertainty assigned by TRC = 0.099 atm; TRC
Quantity Value Units Method Reference Comment
Deltavap9.214kcal/molN/AMajer and Svoboda, 1985 
Deltavap9.20 ± 0.02kcal/molCFuchs, Peacock, et al., 1982AC
Deltavap9.21 ± 0.07kcal/molCFuchs and Peacock, 1979ALS
Deltavap9.20 ± 0.07kcal/molGCCFuchs and Peacock, 1979AC
Deltavap9.13kcal/molN/AReid, 1972See also Labbauf, Greenshields, et al., 1961.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.770395.5N/AMajer and Svoboda, 1985 
8.89328.AStephenson and Malanowski, 1987Based on data from 313. - 397. K. See also Forziati, Norris, et al., 1949.; AC
8.72346.EBSmith, 1941Based on data from 331. - 375. K. See also Boublik, Fried, et al., 1984.; AC
8.32390.N/ASmith, 1941Based on data from 375. - 422. 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
316.11 - 396.423.923911329.863-56.52Forziati, Norris, et al., 1949, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.3289206.61Finke, Messerly, et al., 1976DH
2.33206.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
11.27206.61Finke, Messerly, et al., 1976DH

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

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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

View image of digitized spectrum (can be printed in landscape orientation).

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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-4579
NIST MS number 227624

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, 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.

Fuchs and Peacock, 1979
Fuchs, R.; Peacock, L.A., Heats of vaporization and gaseous heats of formation of some five- and six-membered ring alkenes, Can. J. Chem., 1979, 57, 2302-2304. [all data]

Finke H.L., 1976
Finke H.L., Low-temperature thermal quantities for five alkyl-substituted pentanes, J. Chem. Thermodyn., 1976, 8, 965-983. [all data]

Scott D.W., 1974
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]

Scott D.W., 1974, 2
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Shtekher, Skuratov, et al., 1959
Shtekher, S.M.; Skuratov, S.M.; Daukshas, V.K.; Levina, R.Ya., Heats of combustion of some branched alkanes, Dokl. Akad. Nauk SSSR, 1959, 127, 812-814. [all data]

Skuratov, Kozina, et al., 1958
Skuratov, S.M.; Kozina, M.P.; Shtocher, S.M.; Prevalova, N.M.; Kamkina, L.S.; Zuko, V.D., Heats of combustion of cyclic compounds, Bull. Chem. Thermodyn., 1958, 1, 21. [all data]

Johnson, Prosen, et al., 1947
Johnson, W.H.; Prosen, E.J.; Rossini, F.D., Heats of combustion and isomerization of six nonanes, J. Res. NBS, 1947, 38, 419-422. [all data]

Finke, Messerly, et al., 1976
Finke, H.L.; Messerly, J.F.; Douslin, D.R., Low-temperature thermal quantities for five alkyl-substituted pentanes, J. Chem. Thermodynam., 1976, 8, 965-983. [all data]

Finke, Messerly, et al., 1976, 2
Finke, H.L.; Messerly, J.F.; Douslin, D.R., Low-Temp. Thermal Quantities for Five Alkyl-Substituted Pentanes, J. Chem. Thermodyn., 1976, 8, 965. [all data]

Daubert, 1996
Daubert, T.E., Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes, J. Chem. Eng. Data, 1996, 41, 365-372. [all data]

Ambrose and Townsend, 1968
Ambrose, D.; Townsend, R., Critical Temperatures and Pressures of Some Alkanes, Trans. Faraday Soc., 1968, 64, 2622. [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]

Fuchs, Peacock, et al., 1982
Fuchs, Richard; Peacock, L. Alan; Stephenson, W. Kirk, Enthalpies of interaction of polar and nonpolar molecules with aromatic solvents, Can. J. Chem., 1982, 60, 15, 1953-1958, https://doi.org/10.1139/v82-273 . [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Labbauf, Greenshields, et al., 1961
Labbauf, A.; Greenshields, J.B.; Rossini, F.D., Heats of formation, combustion, and vaporization of the 35 nonanes and 75 decanes, J. Chem. Eng. Data, 1961, 6, 261-263. [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]

Smith, 1941
Smith, E.R., Boiling points of benzene, 2,2,3-trimethylbutane, 3-ethylpentane, and 2,2,4,4-tetramethylpentane within the range 100 to 1,500 millimeters of mercury, J. RES. NATL. BUR. STAN., 1941, 26, 2, 129-17, https://doi.org/10.6028/jres.026.004 . [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]

Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D., Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050 . [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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References