1-Propene, 2-methyl-

• Formula: C₄H₈
• Molecular weight: 56.1063
• IUPAC Standard InChI: InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3 Copy

  
• IUPAC Standard InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N Copy
• CAS Registry Number: 115-11-7
• 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: Propene, 2-methyl-; γ-Butylene; Isobutene; Isobutylene; Isopropylidenemethylene; 1,1-Dimethylethylene; 2-Methyl-1-propene; 2-Methylpropene; iso-C4H8; Methylpropene; UN 1055; 1,1-Dimethylethene; 2-Methylpropylene
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
• Options:
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Data at NIST subscription sites:

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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
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

Enthalpy 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

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C₄H₇^- +  =

By formula: C₄H₇^- + H⁺ = C₄H₈

 +  = ( • )

By formula: H₄N⁺ + C₄H₈ = (H₄N⁺ • C₄H₈)

=  + 

By formula: C₄H₉Cl = C₄H₈ + HCl

 +  =

By formula: C₄H₈ + C₂H₆O = C₆H₁₄O

C₃H₉Si⁺ +  = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₄H₈ = (C₃H₉Si⁺ • C₄H₈)

 +  =

By formula: C₄H₈ + H₂ = C₄H₁₀

=  + 

By formula: C₄H₉I = HI + C₄H₈

 +  =

By formula: C₄H₈ + C₃H₈O = C₇H₁₆O

 +  = ( • )

By formula: Li⁺ + C₄H₈ = (Li⁺ • C₄H₈)

 +  =

By formula: C₄H₈ + HCl = C₄H₉Cl

 +  =

By formula: C₄H₈ + H₂O = C₄H₁₀O

 +  = ( • )

By formula: Na⁺ + C₄H₈ = (Na⁺ • C₄H₈)

Free energy of reaction

(CAS Reg. No. 38130-30-2 • 4294967295) +  = CAS Reg. No. 38130-30-2

By formula: (CAS Reg. No. 38130-30-2 • 4294967295C₄H₈) + C₄H₈ = CAS Reg. No. 38130-30-2

( • 4294967295) +  =

By formula: (C₄H₉ • 4294967295C₄H₈) + C₄H₈ = C₄H₉

=  + 

By formula: C₅H₁₂O = C₄H₈ + CH₄O

=  + 

By formula: C₄H₈Br₂ = C₄H₈ + Br₂

 +  =

By formula: C₄H₈ + C₄H₁₀O = C₈H₁₈O

 +  =

By formula: C₄H₈ + C₄H₁₀O = C₈H₁₈O

 +  =

By formula: C₄H₈ + C₄H₁₀O = C₈H₁₈O

=  + 

By formula: C₆H₁₄O = C₄H₈ + C₂H₆O

=  + 

By formula: C₄H₉Br = C₄H₈ + HCl

 +  =

By formula: HBr + C₄H₈ = C₄H₉Br

 +  =

By formula: C₄H₈ + CH₄O = C₅H₁₂O

=  + 

By formula: C₄H₁₀O = C₄H₈ + H₂O

 +  =

By formula: C₇H₈O + C₄H₈ = C₁₁H₁₆O

=  + 

By formula: C₁₀H₁₄O = C₆H₆O + C₄H₈

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, References, Notes

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
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₄H₈⁺ (ion structure unspecified)

Proton affinity at 298K

Gas basicity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₄H₇^- +  =

By formula: C₄H₇^- + H⁺ = C₄H₈

Ion clustering data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C₃H₉Si⁺ +  = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₄H₈ = (C₃H₉Si⁺ • C₄H₈)

 +  = ( • )

By formula: H₄N⁺ + C₄H₈ = (H₄N⁺ • C₄H₈)

 +  = ( • )

By formula: Li⁺ + C₄H₈ = (Li⁺ • C₄H₈)

 +  = ( • )

By formula: Na⁺ + C₄H₈ = (Na⁺ • C₄H₈)

Free energy of reaction

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

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

Todd and Parks, 1936
Todd, S.S.; Parks, G.S., Thermal data on organic compounds. XV. Some heat capacity, entropy and free energy data for the isomeric butenes, J. Am. Chem. Soc., 1936, 58, 134-137. [all data]

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Howlett, 1951
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Sola, Pericas, et al., 1995
Sola, L.; Pericas, M.A.; Cunill, F.; Tejero, J., Thermodynamic and kinetic studies of the liquid phase synthesis of tert-butyl ethyl ether using a reaction calorimeter, Ind. Eng. Chem. Res., 1995, 34, 3718-3725. [all data]

Iborra, Izquierdo, et al., 1989
Iborra, M.; Izquierdo, J.F.; Tejero, J.; Cunill, F., Equilibrium constant for ethyl tert-butyl ether vapor-phase synthesis, J. Chem. Eng. Data, 1989, 34, 1-5. [all data]

Li and Stone, 1989
Li, X.; Stone, J.A., Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes, J. Am. Chem. Soc., 1989, 111, 15, 5586, https://doi.org/10.1021/ja00197a013 . [all data]

Kistiakowsky, Ruhoff, et al., 1935, 2
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E., Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons, J. Am. Chem. Soc., 1935, 57, 876-882. [all data]

Cox and Pilcher, 1970
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Jones, J.L.; Ogg, R.A., Jr., The equilibrium (CH₃)₃CI = (CH₃)₂C = CH₂ + HI, J. Am. Chem. Soc., 1937, 59, 1943-1945. [all data]

Calderon, Tejero, et al., 1997
Calderon, A.; Tejero, J.; Izuierdo, J.F.; Iborra, M.; Cunill, F., Equilibrium Constants for the liquid-phase synthesis of isopropyl tert-butyl ether from 2-propanol and isobutene, Ind. Eng. Chem. Res., 1997, 36, 896-902. [all data]

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Sola, L.; Pericas, M.A.; Cunill, F.; Izquierdo, J.F., A comparative thermodynamic and kinetic study of the reaction between olefins and light alcohols leading to branced ethers. Reaction calorimetry study of the formation of tert-amyl methyl ether (TAME) and tert-butyl isopropyl ether (IPTBE), Ind. Eng. Chem. Res., 1997, 36, 2012-2018. [all data]

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McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

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Holmes, J.L.; Weese, G.M.; Blair, A.S.; Terlouw, J.K., Metastable ion studies IX-Thermochemistry and ion structures among fragmenting [C₄H₈]⁺ ions, an electron impact and field ionization investigation, Org. Mass Spectrom., 1977, 12, 424. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  S°liquid	Entropy of liquid at standard conditions
  T	Temperature
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Vc	Critical volume
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions
  ρc	Critical density

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