Butyl trifluoroacetate
- Formula: C6H9F3O2
- Molecular weight: 170.1297
- IUPAC Standard InChIKey: CLDYDTBRUJPBGU-UHFFFAOYSA-N
- CAS Registry Number: 367-64-6
- 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: Trifluoroacetic acid, n-butyl ester; Butyl 2,2,2-trifluoroacetate; 1-Butanol, trifluoroacetate; n-Butyl trifluoroacetate; Acetic acid, trifluoro-, butyl ester; CF3CO2(n-C4H9); Trifluoroacetic acid, butyl ester; CF3C(O)O(CH2)3CH3
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, Gas Chromatography, References, Notes
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
View image of digitized spectrum (can be printed in landscape orientation).
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | NIST Mass Spectrometry Data Center, 2010 |
NIST MS number | 417253 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 100. | 654. | Promyshlennikova, Kirichenko, et al., 1992 | |
Capillary | OV-101 | 100. | 654.2 | Promyshlennikova, Kirichenko, et al., 1991 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 80. | 664.3 | Komárek, Hornová, et al., 1982 | N2; Column length: 15. m; Column diameter: 0.22 mm |
Packed | SE-30 | 100. | 652. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 814. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 678.8 | Komárek, Richter, et al., 1998 | He, 5.5 K/min; Column length: 20. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 350. C |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Komárek, Richter, et al., 1998
Komárek, K.; Richter, P.; Hoffmann, J.,
Capillary gas chromatography of n-butyl and isobutyl-, n-amyl and isoamyl polyethylene glycol ethers and their derivatives,
J. Chromatogr. A, 1998, 800, 2, 305-315, https://doi.org/10.1016/S0021-9673(97)01144-8
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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