- Formula: C6HF5O
- Molecular weight: 184.0636
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: XBNGYFFABRKICK-UHFFFAOYSA-N
- CAS Registry Number: 771-61-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Pentafluorophenol; C6F5OH; 2,3,4,5,6-Pentafluorophenol
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Ion clustering data
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Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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+ = ( )
By formula: Br- + C6HF5O = (Br- C6HF5O)
|rH°||107. ± 7.5||kJ/mol||IMRE||Paul and Kebarle, 1990||gas phase; «DELTA»Gaff at 423 K; B,M|
|rS°||96.||J/mol*K||N/A||Paul and Kebarle, 1990||gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M|
|rG°||66.5 ± 4.2||kJ/mol||IMRE||Paul and Kebarle, 1990||gas phase; «DELTA»Gaff at 423 K; B|
Free energy of reaction
|rG° (kJ/mol)||T (K)||Method||Reference||Comment|
|66.5||423.||PHPMS||Paul and Kebarle, 1990||gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M|
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Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Stabilities in the Gas Phase of the Hydrogen Bonded Complexes, YC6H4OH-X-, of Substituted Phenols, YC6H4OH, with the Halide Anions X-(Cl-, Br-), Can. J. Chem., 1990, 68, 11, 2070, https://doi.org/10.1139/v90-316 . [all data]
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- Symbols used in this document:
T Temperature rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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