Pentafluoropropionic acid, hexyl ester

Formula: C₉H₁₃F₅O₂
Molecular weight: 248.1903
IUPAC Standard InChI: InChI=1S/C9H13F5O2/c1-2-3-4-5-6-16-7(15)8(10,11)9(12,13)14/h2-6H2,1H3
IUPAC Standard InChIKey: ZNCCRAMYHTXLQS-UHFFFAOYSA-N
CAS Registry Number: 134639-01-3
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: Hexyl pentafluoropropionate; Hexyl 2,2,3,3,3-pentafluoropropanoate; 1-Hexanol, pentafluoropropionate; 2,2,3,3,3-Pentafluoro-propionic acid hexyl ester; Hexyl pentafluoropropanoate; Propanoic acid, pentafluoro, hexyl 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	100.	878.	Promyshlennikova, Kirichenko, et al., 1992
Capillary	OV-101	100.	878.2	Promyshlennikova, Kirichenko, et al., 1991	He; Column length: 50. m; Column diameter: 0.25 mm
Packed	SE-30	140.	859.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m
Packed	SE-30	100.	882.	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	100.	919.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m
Packed	Carbowax 20M	140.	907.	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	894.	Zaikin, 2009	30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; T_start: 60. 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	900.3	Zheng and White, 2008	30. m/0.25 mm/0.25 μm, He; Program: not specified

References

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Promyshlennikova, Kirichenko, et al., 1992
Promyshlennikova, E.P.; Kirichenko, V.E.; Pashkevich, K.I.; Grigor'eva, D.N.; Golovnya, R.V., Influence of the stationary phase nature on the retention of polyfluorinated carboxylic acid esters, Zh. Anal. Khim., 1992, 47, 1070-1075. [all data]

Promyshlennikova, Kirichenko, et al., 1991
Promyshlennikova, E.P.; Kirichenko, V.E.; Pashkevich, K.I.; Grigor'eva, D.N.; Golovnya, R.V., Capillary chromatography of polyfluorinated carboxylic esters, Izv. Akad. Nauk SSSR Ser. Khim., 1991, 8, 1541-1545. [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]

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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