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Pentane, 2,2,4-trimethyl-

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Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil372.4 ± 0.2KAVGN/AAverage of 49 out of 52 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus165.77 ± 0.06KAVGN/AAverage of 37 out of 44 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple165.760KN/AStreiff, 1959Uncertainty assigned by TRC = 0.4 K; TRC
Ttriple165.3KN/AParks, Huffman, et al., 1930Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc543.9 ± 0.4KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc25.7 ± 0.2barN/ADaubert, 1996 
Pc25.676barN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4053 bar; TRC
Pc25.6433barN/AKay and Warzel, 1951Uncertainty assigned by TRC = 0.1013 bar; TRC
Pc25.8379barN/ABeattie and Edwards, 1948Uncertainty assigned by TRC = 0.1519 bar; from observed isotherms in critical region; TRC
Quantity Value Units Method Reference Comment
Vc0.468l/molN/ADaubert, 1996 
Vc0.482l/molN/ABeattie and Edwards, 1948Uncertainty assigned by TRC = 0.02 l/mol; from observed isotherms in the critical region; TRC
Quantity Value Units Method Reference Comment
rhoc2.14 ± 0.02mol/lN/ADaubert, 1996 
rhoc2.13mol/lN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.04 mol/l; TRC
rhoc2.13mol/lN/AKay and Warzel, 1951Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap35.1 ± 0.2kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
30.79372.4N/AMajer and Svoboda, 1985 
36.1304.N/AWu, Pividal, et al., 1991Based on data from 289. - 333. K.; AC
31.6438.AStephenson and Malanowski, 1987Based on data from 423. - 523. K.; AC
32.2387.AStephenson and Malanowski, 1987Based on data from 372. - 416. K.; AC
31.5428.AStephenson and Malanowski, 1987Based on data from 413. - 494. K.; AC
31.4505.AStephenson and Malanowski, 1987Based on data from 490. - 544. K.; AC
40.7209.AStephenson and Malanowski, 1987Based on data from 194. - 299. K. See also Milazzo, 1956.; AC
34.8312.A,MMStephenson and Malanowski, 1987Based on data from 297. - 374. K. See also Willingham, Taylor, et al., 1945.; AC
34.4 ± 0.1313.CSvoboda, Charvátová, et al., 1982AC
33.4 ± 0.1328.CSvoboda, Charvátová, et al., 1982AC
32.6 ± 0.1343.CSvoboda, Charvátová, et al., 1982AC
31.7 ± 0.1358.CSvoboda, Charvátová, et al., 1982AC
31.0 ± 0.1368.CSvoboda, Charvátová, et al., 1982AC
34.3 ± 0.1313.CMajer, Svoboda, et al., 1979AC
33.2 ± 0.1333.CMajer, Svoboda, et al., 1979AC
32.0 ± 0.1353.CMajer, Svoboda, et al., 1979AC
31.0371.CPitzer K.S., 1940AC
33.9333.EBSmith, 1940Based on data from 318. - 399. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 353.50.280.2668543.9Majer and Svoboda, 1985 

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
194.64 - 298.443.947361282.332-48.444Milazzo, 1956, 2Coefficents calculated by NIST from author's data.
297.51 - 373.283.936791257.84-52.415Williamham, Taylor, et al., 1945 

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
9.2115165.79Pitzer K.S., 1940DH
9.04165.3Domalski and Hearing, 1996AC
9.042165.3Parks, Huffman, et al., 1930, 2DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
55.56165.79Pitzer K.S., 1940DH
54.70165.3Parks, Huffman, et al., 1930, 2DH

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, Phase change data, Notes

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

Streiff, 1959
Streiff, A.J., Unpublished 1959, 1959. [all data]

Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal Data on Organic Compounds VI. The Heat Capacities, Entropies and Free Energies of Some Saturated, Non-Benzenoid Hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-41. [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]

McMicking and Kay, 1965
McMicking, J.H.; Kay, W.B., Vapor Pressures and Saturated Liquid and Vapor Densities of The Isomeric Heptanes and Isomeric Octanes, Proc., Am. Pet. Inst., Sect. 3, 1965, 45, 75-90. [all data]

Kay and Warzel, 1951
Kay, W.B.; Warzel, F.M., 2,2,4-Trimethylpentane (Isooctane), Vapor Pressure, Critical Constants and Saturated Vapor and Liquid Densities, Ind. Eng. Chem., 1951, 43, 1150-2. [all data]

Beattie and Edwards, 1948
Beattie, J.A.; Edwards, D.G., The Vapor Pressure, Orthobaric Densities, and Critical Constants of 2,2,4-Trimethylpentane, J. Am. Chem. Soc., 1948, 70, 3382. [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]

Wu, Pividal, et al., 1991
Wu, Huey S.; Pividal, Katherine A.; Sandler, Stanley I., Vapor-liquid equilibria of hydrocarbons and fuel oxygenates, J. Chem. Eng. Data, 1991, 36, 4, 418-421, https://doi.org/10.1021/je00004a021 . [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]

Milazzo, 1956
Milazzo, G., Ann. Chim. (Rome), 1956, 46, 1105. [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]

Svoboda, Charvátová, et al., 1982
Svoboda, Václav; Charvátová, Vladimíra; Majer, Vladimír; Hynek, Vladimír, Determination of heats of vaporization and some other thermodynamic properties for four substituted hydrocarbons, Collect. Czech. Chem. Commun., 1982, 47, 2, 543-549, https://doi.org/10.1135/cccc19820543 . [all data]

Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Hála, Slavoj; Pick, Jirí, Temperature dependence of heats of vaporization of saturated hydrocarbons C5-C8; Experimental data and an estimation method, Collect. Czech. Chem. Commun., 1979, 44, 3, 637-651, https://doi.org/10.1135/cccc19790637 . [all data]

Pitzer K.S., 1940
Pitzer K.S., The thermodynamics of n-heptane and 2,2,4-trimethylpentane, including heat capacities, heats of fusion and vaporization and entropies, J. Am. Chem. Soc., 1940, 62, 1224-1227. [all data]

Smith, 1940
Smith, E.R., Boiling points of n-heptane and 2,2,4-trimethylpentane over the range 100- to 1,500-millimeter pressure, J. RES. NATL. BUR. STAN., 1940, 24, 3, 229-17, https://doi.org/10.6028/jres.024.010 . [all data]

Milazzo, 1956, 2
Milazzo, G., Tensioni di Vapore di Alcune Sostanze Organiche a Bassa Temperatura, Ann. Chim. (Rome), 1956, 46, 1105-1111. [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]

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]

Parks, Huffman, et al., 1930, 2
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]


Notes

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