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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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -155.10 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1969 |
| ΔfH°gas | -154.72 ± 0.70 | kcal/mol | Eqk | Coomber and Whittle, 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = -156.4 kcal/mol; ALS |
| ΔfH°gas | -155.22 ± 0.76 | kcal/mol | Eqk | Lord, Goy, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = -154.1 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 71.181 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1969 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. - 1100. | 1100. - 6000. |
|---|---|---|
| A | 9.145020 | 25.59030 |
| B | 37.61231 | 0.136113 |
| C | -32.90449 | -0.027583 |
| D | 10.35390 | 0.001912 |
| E | -0.101688 | -1.599050 |
| F | -159.5700 | -167.1450 |
| G | 71.83260 | 95.57280 |
| H | -155.1000 | -155.1000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 39.15 | 293. | Stolyarov and Chashkin, 1984 | T = 163 to 293 K. |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E.,
Bond dissociation energies from equilibrium studies. Part 1.-D(CF3-Br), D(C2F5-Br) and D(n-C3F7-Br),
Trans. Faraday Soc., 1967, 63, 608-619. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O.,
The heats of formation of trifluoromethyl chloride and bromide,
J. Phys. Chem., 1967, 71, 2705-2707. [all data]
Stolyarov and Chashkin, 1984
Stolyarov, N.N.; Chashkin, Yu.R.,
Heat capacity of liquid refrigerating agents R13, R23, R13B1, and RC318,
Kholod. Tekh., 1984, (2), 39-40. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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