Butane, 2,2-dimethyl- (2024)

• Formula: C₆H₁₄
• Molecular weight: 86.1754

• IUPAC Standard InChI:InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3

  

• IUPAC Standard InChIKey:HNRMPXKDFBEGFZ-UHFFFAOYSA-N
• CAS Registry Number: 75-83-2
• Chemical structure:
  This structure is also available as a 2d Mol fileor as a computed3d SD file
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• Other names:Neohexane;2,2-Dimethylbutane;(CH3)3CCH2CH3;UN 1208
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • IR Spectrum
  • Gas Chromatography
• Data at other public NIST sites:
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Gas phase thermochemistry data

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Data compilation copyrightby 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

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes

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

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes

Data compilation copyrightby 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

Additional Data

All mass spectra in this site (plus many more) areavailable 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, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

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]

Kilpatrick J.E., 1946
Kilpatrick J.E.,The thermodynamics of 2,2-dimethylbutane, including the heat capacity, heats of transition, fusion and vaporization and the entropy,J. Am. Chem. Soc., 1946, 68, 1066-1072. [all data]

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

Douslin D.R., 1946
Douslin D.R.,Low-temperature thermal data on the five isomeric hexanes,J. Am. Chem. Soc., 1946, 68, 1704-1708. [all data]

Scott D.W., 1974, 2
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]

Pitzer K.S., 1946
Pitzer K.S.,The entropies and related properties of branched paraffin hydrocarbons,Chem. Rev., 1946, 39, 435-447. [all data]

Waddington G., 1949
Waddington G.,Experimental vapor heat capacities and heats of vaporization of 2-methylpentane, 3-methylpentane, and 2,3-dimethylbutane,J. Am. Chem. Soc., 1949, 71, 3902-3906. [all data]

Waddington G., 1947
Waddington G.,Experimental vapor heat capacities and heats of vaporization of n-hexane and 2,2-dimethylbutane,J. Am. Chem. Soc., 1947, 69, 2275-2279. [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]

Lias, Ausloos, et al., 1976
Lias, S.G.; Ausloos, P.; Horvath, Z.,Charge transfer reactions in alkane and cycloalkane systems. Estimated ionization potentials,Int. J. Chem. Kinet., 1976, 8, 725. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,Ionization potentials of some molecules,J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G.,Photoionization of alkanes. Dissociation of excited molecular ions,J. Chem. Phys., 1961, 34, 189. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,gas	Constant pressure heat capacity of gas
  S°gas	Entropy of gas at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69:NIST Chemistry WebBook
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