3-Chloropropionic acid, octyl ester

• Formula: C₁₁H₂₁ClO₂
• Molecular weight: 220.736
• IUPAC Standard InChI: InChI=1S/C11H21ClO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-10H2,1H3 Copy

  
• IUPAC Standard InChIKey: APSFWUHAPFXKHS-UHFFFAOYSA-N Copy
• CAS Registry Number: 63505-50-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Propanoic acid, 3-chloro, octyl ester; Octyl 3-chloropropanoate
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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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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.

Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXVII. Retention increments of C₁-C₁₈ primary alkanols and their 2-chloropropanoyl and 3-chloropropanoyl derivatives on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 319, 131-142, https://doi.org/10.1016/S0021-9673(01)90548-5 . [all data]

Komárek, Hornová, et al., 1983
Komárek, K.; Hornová, L.; Horna, A.; Churácek, J., Glass capillary gas chromatography of homologous series of esters. III. Separation of alkyl halogenopropionates and halogenobutyrates on OV-101, J. Chromatogr., 1983, 262, 316-320, https://doi.org/10.1016/S0021-9673(01)88112-7 . [all data]

Notes

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