- Formula: C6F5NO2
- Molecular weight: 213.0617
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: INUOFQAJCYUOJR-UHFFFAOYSA-N
- CAS Registry Number: 880-78-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Nitropentafluorobenzene; Pentafluoronitrobenzene; 1,2,3,4,5-Pentafluoro-6-nitrobenzene
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
+ = ( )
By formula: F- + C6F5NO2 = (F- C6F5NO2)
|rH°||172. ± 8.4||kJ/mol||IMRE||Dillow and Kebarle, 1988||gas phase; Anchored to C6F6..F- in Hiraoka, Mizuse, et al., 1987; B,M|
|rS°||82.0||J/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; M|
|rG°||137. ± 8.4||kJ/mol||IMRE||Dillow and Kebarle, 1988||gas phase; Anchored to C6F6..F- in Hiraoka, Mizuse, et al., 1987; B|
Free energy of reaction
|rG° (kJ/mol)||T (K)||Method||Reference||Comment|
|137.||423.||PHPMS||Dillow and Kebarle, 1988||gas phase; switching reaction,Thermochemical ladder(F-)C6F6, Entropy change calculated or estimated; Hiraoka, Mizuse, et al., 1987; M|
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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]
Go To: Top, Ion clustering data, References
- 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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