2-Butene, 1-chloro-

• Formula: C₄H₇Cl
• Molecular weight: 90.551
• IUPAC Standard InChI: InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3 Copy

  
• IUPAC Standard InChIKey: YTKRILODNOEEPX-UHFFFAOYSA-N Copy
• CAS Registry Number: 591-97-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • (E)-1-chlorobut-2-ene
• Other names: α-Chloro-β-butylene; γ-Methallyl chloride; γ-Methylallyl chloride; Crotyl chloride; 1-Chloro-2-butene; 2-Butenyl chloride; 1-chlorobut-2-ene
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

=

By formula: C₄H₇Cl = C₄H₇Cl

IR Spectrum

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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: Coblentz Society, Inc.

Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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

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.

Levanova, Rodova, et al., 1974
Levanova, S.V.; Rodova, R.M.; Rozhnov, A.M.; Shevtsova, L.A., Thermodynamic calculation of the equilibrium composition of chlorobutene mixtures, Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1113-1114. [all data]

Vernon, 1954
Vernon, C.A., J. Chem. Soc., 1954, 1954, 423. [all data]

Henne, Chanan, et al., 1941
Henne, A.L.; Chanan, H.H.; Turk, A., Olefins and Diolefins from Allylic Chlorides, J. Am. Chem. Soc., 1941, 63, 3474-6. [all data]

Levanova, Rodova, et al., 1975
Levanova, S.V.; Rodova, R.M.; Shevtsova, L.A.; Rozhnov, A.M., Isomerisation of chlorobutenes, Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 41-43. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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