trans-1-Chloropropene

• Formula: C₃H₅Cl
• Molecular weight: 76.525
• IUPAC Standard InChI: InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+ Copy

  
• IUPAC Standard InChIKey: OWXJKYNZGFSVRC-NSCUHMNNSA-N Copy
• CAS Registry Number: 16136-85-9
• 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.
• Stereoisomers:
  • 1-Propene, 1-chloro-, (Z)-
  • 1-Propene, 1-chloro-
• Other names: 1-Propene, 1-chloro-, (E)-; Propene, 1-chloro-, (E)-; (E)-1-Chloro-1-propene; trans-1-Chloro-1-Propene; trans-1-Propenyl chloride; (E)-1-Propene, 1-chloro
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 as indicated in comments:
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

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

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

=

By formula: C₃H₅Cl = C₃H₅Cl

=

By formula: C₃H₅Cl = C₃H₅Cl

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

Normal alkane RI, non-polar column, temperature ramp

View large format table.

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.

Alfassi, Golden, et al., 1973
Alfassi, Z.B.; Golden, D.M.; Benson, S.W., The thermochemistry of the isomerization of 3-halopropenes (allyl halides) to 1-halopropenes; entropy and enthalpy of formation contribution of the C_d-(H)(X) group, J. Chem. Thermodyn., 1973, 5, 411-420. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Hatch and Alexander, 1949
Hatch, L.F.; Alexander, H.E., Allylic Chlorides V. Relative Reactivities with Sodium Ethoxide in Ethanol, J. Am. Chem. Soc., 1949, 71, 1037. [all data]

Groll and Hearne. G., 1939
Groll, H.P.A.; Hearne. G., Ind. Eng. Chem., 1939, 31, 1530. [all data]

Timmermans, 1927
Timmermans, J., The Melting Point of Organic Substances, Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]

Horstmann, Gardeler, et al., 2001
Horstmann, Sven; Gardeler, Hergen; Fischer, Kai; Köster, Frank; Gmehling, Jürgen, Vapor Pressure, Vapor-Liquid Equilibrium, and Excess Enthalpy Data for Compounds and Binary Subsystems of the Chlorohydrin Process for Propylene Oxide Production, J. Chem. Eng. Data, 2001, 46, 2, 337-345, https://doi.org/10.1021/je000292j . [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]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Shevtsova and Andreevskii, 1971
Shevtsova, L.A.; Andreevskii, D.N., Cis-trans isomerization of 1-chloro-1-propene, Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1971, 15, 718-720. [all data]

Abell and Adolf, 1969
Abell, P.I.; Adolf, P.K., HBr catalyzed photoisomerization of allyl halides, J. Chem. Thermodyn., 1969, 1, 333-338. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [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
  ΔvapH	Enthalpy of vaporization

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