Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

bromine trifluoride

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics 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.

Quantity Value Units Method Reference Comment
Deltafgas-61.087kcal/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar69.864cal/mol*KReviewChase, 1998Data 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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 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
ReferenceChase, 1998
Comment Data last reviewed in September, 1965

Phase change data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil398.95KN/AStein, Vogel, et al., 1954Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus8.8KN/AStein, Vogel, et al., 1954Uncertainty assigned by TRC = 0.5 K; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Reference Comment
11.0326.Oliver and Grisard, 1952Based on data from 311. - 428. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change 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:
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 ± 0.04PEDeKock, Higginson, et al., 1972LLK
12.9 ± 0.3EIIrsa and Friedman, 1958RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
BrF2+13.5 ± 0.3FEIIrsa and Friedman, 1958RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, 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.

Data compiled by: Takehiko Shimanouchi

Symmetry:   C2nu     Symmetry Number sigma = 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(«nu»6)
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(«nu»3)

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
WWeak
VWVery weak
pPolarized
OVOverlapped by band indicated in parentheses.
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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]

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]

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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References