bromine trifluoride
- Formula: BrF3
- Molecular weight: 136.899
- CAS Registry Number: 7787-71-5
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Gas phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -61.087 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 69.864 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
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. to 6000. |
---|---|
A | 19.30440 |
B | 0.481605 |
C | -0.130084 |
D | 0.011079 |
E | -0.323044 |
F | -67.94610 |
G | 91.27101 |
H | -61.08709 |
Reference | Chase, 1998 |
Comment | Data last reviewed in September, 1965 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 398.95 | K | N/A | Stein, Vogel, et al., 1954 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 8.8 | K | N/A | Stein, Vogel, et al., 1954 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.0 | 326. | Oliver and Grisard, 1952 | Based on data from 311. to 428. K.; AC |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to BrF3+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.15 ± 0.04 | PE | DeKock, Higginson, et al., 1972 | LLK |
12.9 ± 0.3 | EI | Irsa and Friedman, 1958 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
BrF2+ | 13.5 ± 0.3 | F | EI | Irsa and Friedman, 1958 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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]
Stein, Vogel, et al., 1954
Stein, L.; Vogel, R.C.; Ludewig, W.H.,
Partial Molal Volumes and Molar Refractions of the System Bromine Trifluoride-Bromine Pentafluoride,
J. Am. Chem. Soc., 1954, 76, 4287-9. [all data]
Oliver and Grisard, 1952
Oliver, George D.; Grisard, J.W.,
Thermal Data, Vapor Pressure and Entropy of Bromine Trifluoride 1,
J. Am. Chem. Soc., 1952, 74, 11, 2705-2707, https://doi.org/10.1021/ja01131a003
. [all data]
DeKock, Higginson, et al., 1972
DeKock, R.L.; Higginson, B.R.; Lloyd, D.R.; Breeze, A.; Cruickshank, D.W.J.; Armstrong, D.R.,
Photoelectron spectra of halides. V. Experimental theoretical study of the electronic structures of ClF, ClF3, BrF and BrF3,
Mol. Phys., 1972, 24, 1059. [all data]
Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L.,
Mass spectra of halogen fluorides,
J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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