Decyl trifluoroacetate

Formula: C₁₂H₂₁F₃O₂
Molecular weight: 254.2891
IUPAC Standard InChI: InChI=1S/C12H21F3O2/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h2-10H2,1H3
IUPAC Standard InChIKey: VOYQYHZKXRAELV-UHFFFAOYSA-N
CAS Registry Number: 333-88-0
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.
Other names: Decyl 2,2,2-trifluoroacetate; 1-Decanol, trifluoroacetate; Acetic acid, trifluoro-, decyl ester; 1-Trifluoroacetoxydecane; Trifluoroacetic acid, decyl ester
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	OV-101	200.	1220.0	Komárek, Hornová, et al., 1982	N2; Column length: 15. m; Column diameter: 0.22 mm
Packed	SE-30	140.	1232.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	140.	1367.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	5 % Phenyl methyl siloxane	1246.	Zaikin, 2009	30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; T_start: 60. C
Capillary	DB-5	1273.6	Richter, Komarek, et al., 1997	20. m/0.25 mm/0.25 μm, He, 5.5 K/min; T_start: 50. C; T_end: 350. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	1247.2	Zheng and White, 2008	30. m/0.25 mm/0.25 μm, He; Program: not specified

References

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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]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Zaikin, 2009
Zaikin, V.G., Personal Communication: Retention indices measured during the period 2008 to 2009, 2009. [all data]

Richter, Komarek, et al., 1997
Richter, P.; Komarek, K.; Reznicková, I., Identification of alkylpolyethylene glycols in the residues after biodegradation of their mixtures by CGC and previous derivatization, Folia Microbiol. (Prague), 1997, 42, 5, 517-520, https://doi.org/10.1007/BF02826565 . [all data]

Zheng and White, 2008
Zheng, Y.; White, E., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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