Bromotrifluoromethane
- Formula: CBrF3
- Molecular weight: 148.910
- IUPAC Standard InChI: InChI=1S/CBrF3/c2-1(3,4)5
- IUPAC Standard InChIKey: RJCQBQGAPKAMLL-UHFFFAOYSA-N
- CAS Registry Number: 75-63-8
- 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: Methane, bromotrifluoro-; Bromofluoroform; F 13B1; Fluorocarbon 1301; Freon 13B1; FC 13B1; Halon 1301; Monobromotrifluoromethane; R 13B1; Trifluorobromomethane; Trifluoromethyl bromide; Trifluoromonobromomethane; CF3Br; Refrigerant 13B1; Carbon monobromide trifluoride; UN 1009; CBrF3; Daiflon 13B1; Flugex 13B1; Khladon 13B1
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Ion clustering 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 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.
Clustering reactions
+
= CBr2F3-
By formula: Br- + CBrF3 = CBr2F3-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 58.16 ± 0.84 | kJ/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 30.5 | kJ/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
+
= (
•
)
By formula: CH3+ + CBrF3 = (CH3+ • CBrF3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 224. | kJ/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M |
+
= CBrClF3-
By formula: Cl- + CBrF3 = CBrClF3-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 69.04 ± 0.84 | kJ/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 38.5 | kJ/mol | TDAs | Bogdanov and McMahon, 2006 | gas phase; B |
References
Go To: Top, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bogdanov and McMahon, 2006
Bogdanov, B.; McMahon, T.B.,
Gas phase S(N)2 reactions of halide ions with trifluoromethyl halides: Front- and back-side attack vs. complex formation,
J. Phys. Chem. A, 2006, 110, 4, 1350-1363, https://doi.org/10.1021/jp0541011
. [all data]
McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P.,
Methyl Cation Affinities,
J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002
. [all data]
Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L.,
Photoionization mass spectrometry of trans-azomethane,
Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]
Notes
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- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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