Ethyl pentafluorobenzoate

• Formula: C₉H₅F₅O₂
• Molecular weight: 240.1268
• IUPAC Standard InChI: InChI=1S/C9H5F5O2/c1-2-16-9(15)3-4(10)6(12)8(14)7(13)5(3)11/h2H2,1H3 Copy

  
• IUPAC Standard InChIKey: DFUDMSIRGGTHGI-UHFFFAOYSA-N Copy
• CAS Registry Number: 4522-93-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Benzoic acid, pentafluoro-, ethyl ester; Pentafluorobenzoic acid, ethyl ester; Benzoic acid, 2,3,4,5,6-pentafluoro-, ethyl ester; ethyl perfluorobenzoate
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
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Gas phase ion energetics data

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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: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

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

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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

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

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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.

Petrachenko, Vovna, et al., 1992
Petrachenko, N.E.; Vovna, V.I.; Furin, G.G., He(I) photoelectron spectra of fluorine-substituted derivatives of benzoic acid, Zh. Org. Khim., 1992, 28, 1218. [all data]

(editor), 1967
(editor), Koptyug V.A., Atlas of Spectra of Aromatic and Heterocyclic Compounds, 1967, 1, 62. [all data]

Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLII. Retention behaviour of C₁-C₁₂ n-alkyl esters of benzoic and pentafluorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 328, 325-332, https://doi.org/10.1016/S0021-9673(01)87403-3 . [all data]

Notes

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