Chloroacetic acid, propyl ester

• Formula: C₅H₉ClO₂
• Molecular weight: 136.577
• IUPAC Standard InChI: InChI=1S/C5H9ClO2/c1-2-3-8-5(7)4-6/h2-4H2,1H3 Copy

  
• IUPAC Standard InChIKey: QJZNRCWAXUGABH-UHFFFAOYSA-N Copy
• CAS Registry Number: 5396-24-7
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Propyl chloroacetate; Acetic acid, chloro-, propyl ester
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • 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

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: 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Enthalpy of fusion

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, polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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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.

Bjellerup and Smith, 1954
Bjellerup, L.; Smith, L., Heats of combustion of some organic chloro-compounds, Kgl. Fysiograph. Sallskap. Lund Forh., 1954, 24, 1-13. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Schjanberg, 1935
Schjanberg, E., Die Verbrennungswarmen und die Refraktionsdaten einiger chlorsubstituierter Fettsauren und Ester., Z. Phys. Chem. Abt. A, 1935, 172, 197-233. [all data]

Mido, Katano, et al., 1990
Mido, Yoshiyuki.; Katano, Hajime.; Isono, Takahiro.; Hashimoto, Masao.; Matsuura, Hiroatsu., Conformational phase transitions of n-propyl chloroacetate: thermal, chlorine-35 nuclear quadrupole resonance, and vibrational spectroscopic studies, J. Phys. Chem., 1990, 94, 21, 8070-8072, https://doi.org/10.1021/j100384a018 . [all data]

Haken and Korhonen, 1986
Haken, J.R.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXIII. Capillary chromatography of monochlorinated C₁-C₈ n-alkyl acetates, chloracetates, dichloroacetates and trichloroacetates, J. Chromatogr., 1986, 357, 253-271, https://doi.org/10.1016/S0021-9673(01)95828-5 . [all data]

Haken, Madden, et al., 1983
Haken, J.K.; Madden, B.G.; Korhonen, I.O.O., Gas chromatography of homologous esters. XX. Capillary column studies of alkyl acetates, chloroacetates, dichloroacetates and trichloroacetates, J. Chromatogr., 1983, 256, 221-229, https://doi.org/10.1016/S0021-9673(01)88235-2 . [all data]

Komárek, Hornová, et al., 1982
Komárek, K.; Hornová, L.; Churácek, J., Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101, J. Chromatogr., 1982, 244, 1, 142-147, https://doi.org/10.1016/S0021-9673(00)80131-4 . [all data]

Kornilova, Ukolov, et al., 2012
Kornilova, T.A.; Ukolov, A.I.; Kostikov, R.R.; Zenkevich, I.G., Stability of diazocarbonyl compounds under the conditions of gas chromatography and chromatography-mass spectrometry analysis, Rus. J. General Chem., 2012, 82, 10, 1675-1685, https://doi.org/10.1134/S1070363212100088 . [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔvapH	Enthalpy of vaporization

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