3-Chloropropionic acid, hexadecyl ester

Formula: C₁₉H₃₇ClO₂
Molecular weight: 332.949
IUPAC Standard InChI: InChI=1S/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19(21)16-17-20/h2-18H2,1H3
IUPAC Standard InChIKey: HKMCSNOMIKTPRU-UHFFFAOYSA-N
CAS Registry Number: 53312-70-2
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Propanoic acid, 3-chloro, hexadecyl ester; Hexadecyl 3-chloropropanoate
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Other data available:
- Mass spectrum (electron ionization)
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Kovats' RI, non-polar column, isothermal

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-30	SE-30	SE-30	SE-30	SE-30
Column length (m)	25.	25.	25.	25.	25.
Carrier gas
Substrate
Column diameter (mm)	0.33	0.33	0.33	0.33	0.33
Phase thickness (μm)
Temperature (C)	180.	200.	220.	240.	260.
I	2305.	2302.	2298.	2312.	2311.
Reference	Haken and Korhonen, 1985	Haken and Korhonen, 1985	Haken and Korhonen, 1985	Haken and Korhonen, 1985	Haken and Korhonen, 1985
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	OV-101
Column length (m)	15.
Carrier gas
Substrate
Column diameter (mm)	0.22
Phase thickness (μm)
Temperature (C)	200.
I	2306.
Reference	Komárek, Hornová, et al., 1983
Comment	MSDC-RI

References

Go To: Top, Kovats' RI, non-polar column, isothermal, Notes

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

Go To: Top, Kovats' RI, non-polar column, isothermal, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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