bromine trifluoride
- Formula: BrF3
- Molecular weight: 136.899
- CAS Registry Number: 7787-71-5
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Gas phase 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -255.59 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 292.31 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 6000. |
---|---|
A | 80.76961 |
B | 2.015036 |
C | -0.544272 |
D | 0.046354 |
E | -1.351616 |
F | -284.2865 |
G | 381.8779 |
H | -255.5884 |
Reference | Chase, 1998 |
Comment | Data last reviewed in September, 1965 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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 (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.9 | 326. | Oliver and Grisard, 1952 | Based on data from 311. to 428. K.; AC |
Vibrational and/or electronic energy levels
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 by: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | BrF str | 675 | C | 675 S | gas | 675 S p | gas | ||
a1 | 2 | BrF2 s-str | 552 | C | 552 W | gas | 552 VS p | gas | ||
a1 | 3 | BrF2 ip-deform | 242 | C | 242 S | gas | 233 W p | gas | OV(ν6) | |
b1 | 4 | BrF2 a-str | 614 | C | 614 VS | gas | 612 VW | gas | ||
b1 | 5 | BrF2 ip-deform | 350 | C | 350 VW | gas | ||||
b2 | 6 | BrF2 op-deform | 242 | D | 242 S | gas | OV(ν3) | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
W | Weak |
VW | Very weak |
p | Polarized |
OV | Overlapped by band indicated in parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, 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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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