Butane, 2,2,3,3-tetramethyl-

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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:
DRB - Donald R. Burgess, Jr.
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
Δfgas-226.2kJ/molN/AGood, 1972Value computed using ΔfHsolid° value of -269.1±1.2 kj/mol from Good, 1972 and ΔsubH° value of 42.9 kj/mol from Prosen and Rossini, 1945.; DRB
Δfgas-225.9 ± 1.9kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
gas389.3 ± 1.3J/mol*KN/AScott D.W., 1952GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
129.87200.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
172.63273.15
187.2 ± 0.6298.15
188.28300.
244.01400.
293.76500.
337.23600.
375.30700.
409.20800.
438.90900.
465.261000.
488.691100.
509.611200.
527.181300.
543.921400.
560.661500.

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil379.6 ± 0.5KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus374. ± 3.KAVGN/AAverage of 20 out of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple373.97KN/AScott, Douslin, et al., 1952Crystal phase 1 phase; Uncertainty assigned by TRC = 0.07 K; TRC
Quantity Value Units Method Reference Comment
Δvap42.94kJ/molN/AMajer and Svoboda, 1985 
Δvap42.91kJ/molCOsborne and Ginnings, 1947ALS
Quantity Value Units Method Reference Comment
Δsub43.37 ± 0.21kJ/molVScott, Douslin, et al., 1952, 2ALS
Δsub43.4 ± 0.2kJ/molN/AScott, Douslin, et al., 1952, 2Based on data from 273. to 338. K. See also Cox and Pilcher, 1970.; AC
Δsub42.9 ± 0.9kJ/molCOsborne and Ginnings, 1947, 2AC
Δsub42.9kJ/molN/AProsen and Rossini, 1945DRB

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
379.71.02Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
333.383.AStephenson and Malanowski, 1987Based on data from 377. to 390. K.; AC

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
273. to 338.5.083351724.764-38.383Scott, Douslin, et al., 1952, 3Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
43.6301.N/AStephenson and Malanowski, 1987Based on data from 286. to 377. K.; AC
56.2263. to 279.A,MGLinder, 1930AC

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.54373.9Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
13.11152.5Domalski and Hearing, 1996CAL
20.16373.9

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.000152.5crystaline, IIcrystaline, IScott, Douslin, et al., 1952, 2DH
7.540373.9crystaline, IliquidScott, Douslin, et al., 1952, 2DH
2.008148.1crystaline, IIcrystaline, IParks, Huffman, et al., 1930DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
13.11152.5crystaline, IIcrystaline, IScott, Douslin, et al., 1952, 2DH
20.17373.9crystaline, IliquidScott, Douslin, et al., 1952, 2DH
13.56148.1crystaline, IIcrystaline, IParks, Huffman, et al., 1930DH

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:


Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)9.8eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.79ESTLuo and Pacey, 1992LL
9.8PESzepes, Koranyi, et al., 1981LLK
10.37PEKimura, Katsumata, et al., 1981LLK
10.2 ± 0.05PESzepes, Koranyi, et al., 1981Vertical value; LLK

References

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

Good, 1972
Good, W.D., The enthalpies of combustion and formation of n-octane and 2,2,3,3-tetramethylbutane, J. Chem. Thermodyn., 1972, 4, 709-714. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Scott D.W., 1952
Scott D.W., 2,2,3,3-Tetramethylbutane: heat capacity, heats of transition, fusion and sublimation, vapor pressure, entropy and thermodynamic functions, J. Am. Chem. Soc., 1952, 74, 883-887. [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]

Scott, Douslin, et al., 1952
Scott, D.W.; Douslin, D.R.; Gross, M.E.; Oliver, G.D.; Huffman, H.M., 2,2,3,3-Tetramethylbutane: Heat Caqpacity, Heats of Transition, Fusion and Sublimation, Vapor Pressure, Entropy and Thermodynamic Functions, J. Am. Chem. Soc., 1952, 74, 883. [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]

Osborne and Ginnings, 1947
Osborne, N.S.; Ginnings, D.C., Measurements of heat of vaporization and heat capacity of a number of hydrocarbons, J. Res. NBS, 1947, 39, 453-477. [all data]

Scott, Douslin, et al., 1952, 2
Scott, D.W.; Douslin, D.R.; Gross, M.E.; Oliver, G.D.; Huffman, H.M., 2,2,3,3-Tetramethylbutane: Heat capacity, heats of transition, fusion and sublimation, vapor pressure, entropy and thermodynamic functions, J. Am. Chem. Soc., 1952, 74, 883-887. [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]

Osborne and Ginnings, 1947, 2
Osborne, Nathan S.; Ginnings, Defoe C., Measurements of heat of vaporization and heat capacity of a number of hydrocarbons, J. RES. NATL. BUR. STAN., 1947, 39, 5, 453-17, https://doi.org/10.6028/jres.039.031 . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

Scott, Douslin, et al., 1952, 3
Scott, D.W.; Douslin, D.R.; Gross, M.E.; Oliver, G.D.; Huffman, H.M., 2,2,3,3-Tetramethylbutane: Heat Capacity, Heats of Transition, Fusion and Sublimation, Vapor Pressure, Entropy and Thermodynamic Functions, J. Am. Chem. Soc., 1952, 74, 4, 883-886, https://doi.org/10.1021/ja01124a007 . [all data]

Linder, 1930
Linder, E.G., Vapor Pressures of Some Hydrocarbons, J. Phys. Chem., 1930, 35, 2, 531-535, https://doi.org/10.1021/j150320a010 . [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
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]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Szepes, Koranyi, et al., 1981
Szepes, L.; Koranyi, T.; Naray-Szabo, G.; Modelli, A.; Distefano, G., Ultraviolet photoelectron spectra of group IV hexamethyl derivatives containing a metal-metal bond, J. Organomet. Chem., 1981, 217, 35. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]


Notes

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