Benzene, pentafluoromethoxy-
- Formula: C7H3F5O
- Molecular weight: 198.0901
- IUPAC Standard InChI: InChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
- IUPAC Standard InChIKey: ZRQUIRABLIQJRI-UHFFFAOYSA-N
- CAS Registry Number: 389-40-2
- 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: Pentafluoroanisole; 2,3,4,5,6-Pentafluoroanisole; Anisole, 2,3,4,5,6-pentafluoro-; Methyl pentafluorophenyl ether; Pentafluorophenyl methyl ether
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Reaction thermochemistry 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Individual Reactions
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By formula: F- + C7H3F5O = (F- • C7H3F5O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 37.5 | kcal/mol | PHPMS | Dillow and Kebarle, 1988 | gas phase; switching reaction,Thermochemical ladder(F-)C6F6, Entropy change calculated or estimated; Hiraoka, Mizuse, et al., 1987 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.1 | cal/mol*K | N/A | Dillow and Kebarle, 1988 | gas phase; switching reaction,Thermochemical ladder(F-)C6F6, Entropy change calculated or estimated; Hiraoka, Mizuse, et al., 1987 |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 29.0 | 423. | PHPMS | Dillow and Kebarle, 1988 | gas phase; switching reaction,Thermochemical ladder(F-)C6F6, Entropy change calculated or estimated; Hiraoka, Mizuse, et al., 1987 |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dillow and Kebarle, 1988
Dillow, G.W.; Kebarle, P.,
Fluoride Affinities of Perfluorobenzenes C6F5X. Meisenheimer Complexes in the Gas Phase and Solution,
J. Am. Chem. Soc., 1988, 110, 15, 4877, https://doi.org/10.1021/ja00223a001
. [all data]
Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
A Determination of the Stability and Structure of F-(C6H6) and F-(C6F6) Clusters,
J. Chem. Phys., 1987, 86, 7, 4102, https://doi.org/10.1063/1.451920
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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