Isobutane

• Formula: C₄H₁₀
• Molecular weight: 58.1222
• IUPAC Standard InChI: InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3 Copy

  
• IUPAC Standard InChIKey: NNPPMTNAJDCUHE-UHFFFAOYSA-N Copy
• CAS Registry Number: 75-28-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Propane, 2-methyl-; Trimethylmethane; 1,1-Dimethylethane; 2-Methylpropane; iso-C4H10; i-Butane; UN 1969; R 600a; tert-Butane; A 31; Methylpropane; A 31 (hydrocarbon)
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Ion clustering data
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Gas Phase Kinetics Database
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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:
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

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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Enthalpy of vaporization

Entropy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Enthalpy of fusion

Entropy of fusion

Reaction 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₄H₉^- +  =

By formula: C₄H₉^- + H⁺ = C₄H₁₀

C₄H₉^- +  =

By formula: C₄H₉^- + H⁺ = C₄H₁₀

 +  =

By formula: C₄H₈ + H₂ = C₄H₁₀

=

By formula: C₄H₁₀ = C₄H₁₀

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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

De-protonation reactions

C₄H₉^- +  =

By formula: C₄H₉^- + H⁺ = C₄H₁₀

C₄H₉^- +  =

By formula: C₄H₉^- + H⁺ = C₄H₁₀

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg) NOTE: High partial pressure may produce unreliable values in the range of 2500 to 3400 cm-1; see scan of original spectrum.; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

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

• gas

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, custom temperature program

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Kovats' RI, polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

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Aston, Kennedy, et al., 1940, 2
Aston, J.G.; Kennedy, R.M.; Schumann, S.C., The Heat Capacity and Entropy of Fusion and Vaporization and the Vapor Pressure of Isobutane, J. Am. Chem. Soc., 1940, 62, 2059. [all data]

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Waxman and Gallagher, 1983
Waxman, M.; Gallagher, J.S., Thermodynamic Properties of Isobutane for Temperatures from 250 to 600 K and Pressures from 0.1 to 40 MPa, J. Chem. Eng. Data, 1983, 28, 224. [all data]

Beattie, Edwards, et al., 1949
Beattie, J.A.; Edwards, D.G.; Marple, S., The Vapor Pressure, Orthobaric Liquid Density, and Critical Constants of Isobutane, J. Chem. Phys., 1949, 17, 576. [all data]

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Lim, Jong Sung; Park, Ji-Young; Lee, Byung-Gwon; Lee, Youn-Woo; Kim, Jae-Duck, Phase Equilibria of CFC Alternative Refrigerant Mixtures: Binary Systems of Isobutane + 1,1,1,2-Tetrafluoroethane, + 1,1-Difluoroethane, and + Difluoromethane, J. Chem. Eng. Data, 1999, 44, 6, 1226-1230, https://doi.org/10.1021/je9900777 . [all data]

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Aston, Kennedy, et al., 1940, 3
Aston, J.G.; Kennedy, R.M.; Schumann, S.C., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressure of isobutane, J. Am. Chem. Soc., 1940, 62, 2059-20. [all data]

Das, Reed, et al., 1973
Das, T.R.; Reed, C.O., Jr.; Eubank, P.T., PVT Surface and Thermodynamic Properties of Isobutane, J. Chem. Eng. Data, 1973, 18, 3, 253-262, https://doi.org/10.1021/je60058a001 . [all data]

Perkins and Magee, 2009
Perkins, Richard A.; Magee, Joseph W., Molar Heat Capacity at Constant Volume for Isobutane at Temperatures from (114 to 345) K and at Pressures to 35 MPa ^«8224» ^«8225», J. Chem. Eng. Data, 2009, 54, 9, 2646-2655, https://doi.org/10.1021/je9001575 . [all data]

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,gas	Constant pressure heat capacity of gas
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  Ptriple	Triple point pressure
  S°liquid	Entropy of liquid at standard conditions
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Vc	Critical volume
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔcH°gas	Enthalpy of combustion of gas at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions
  ΔvapS	Entropy of vaporization
  ρc	Critical density

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