Methane, dibromodifluoro-
- Formula: CBr2F2
- Molecular weight: 209.816
- IUPAC Standard InChIKey: AZSZCFSOHXEJQE-UHFFFAOYSA-N
- CAS Registry Number: 75-61-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Dibromodifluoromethane; Difluorodibromomethane; Freon 12-B2; Halon 1202; CF2Br2; UN 1941
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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
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 | 297.6 | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 131.61 | K | N/A | McDonald, Shrader, et al., 1959 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 126.69 | K | N/A | McDonald, Shrader, et al., 1959 | Metastable crystal phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.1 | 282. | A | Stephenson and Malanowski, 1987 | Based on data from 247. to 297. K. See also McDonald, Shrader, et al., 1959, 2 and Kudchadker, Kudchadker, et al., 1979.; AC |
18.6 | 203. | N/A | Banks, Emel«65533»us, et al., 1948 | Based on data from 156. to 218. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
184.46 to 295.94 | 4.28461 | 1185.48 | -18.886 | McDonald, Shrader, et al., 1959, 2 |
Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.03 ± 0.04 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.98 ± 0.02 | PI | Wang and Leroi, 1983 | LBLHLM |
11.07 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
11.18 | PE | Doucet, Gilbert, et al., 1975 | Vertical value; LLK |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 9611 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Davidson, 1951 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 9284 |
Instrument | Beckman DU |
Melting point | - 110.1 |
Boiling point | 25 |
Vibrational and/or electronic energy levels
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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 | CF2 s-str | 1090 | C | 1090 | gas | 1077 W p | liq. | ||
a1 | 2 | CF2 scis | 623 | C | 623 | gas | 624 W p | liq. | ||
a1 | 3 | CBr2 s-str | 140 | D | 340 S p | liq. | ||||
a1 | 4 | CBr2 scis | 168 | D | 168 M p | liq. | ||||
a2 | 5 | CF2 twist | 281 | D | ia | 281 W dp | liq. | |||
b1 | 6 | CF2 a-str | 1153 | C | 1153 VS | gas | 1141 VW dp | liq. | ||
b1 | 7 | CF2 rock | 369 | D | 369 VW dp | liq. | ||||
b2 | 8 | CBr2 a-str | 831 | C | 831 VS | gas | 816 W dp | liq. | ||
b2 | 9 | CF2 wag | 325 | D | 325 VW dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
McDonald, Shrader, et al., 1959
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of 30 Organics,
J. Chem. Eng. Data, 1959, 4, 311. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
McDonald, Shrader, et al., 1959, 2
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of Thirty Pure Organic Compounds.,
J. Chem. Eng. Data, 1959, 4, 4, 311-313, https://doi.org/10.1021/je60004a009
. [all data]
Kudchadker, Kudchadker, et al., 1979
Kudchadker, A.P.; Kudchadker, S.A.; Shukla, R.P.; Patnaik, P.R.,
Vapor pressures and boiling points of selected halomethanes,
J. Phys. Chem. Ref. Data, 1979, 8, 2, 499, https://doi.org/10.1063/1.555600
. [all data]
Banks, Emel«65533»us, et al., 1948
Banks, A.A.; Emel«65533»us, H.J.; Haszeldine, R.N.; Kerrigan, V.,
443. The reaction of bromine trifluoride and iodine pentafluoride with carbon tetrachloride, tetrabromide, and tetraiodide and with tetraiodoethylene,
J. Chem. Soc., 1948, 2188, https://doi.org/10.1039/jr9480002188
. [all data]
Wang and Leroi, 1983
Wang, F.C.-Y.; Leroi, G.E.,
Photoionization and fragmentation of halogenated methanes,
Ann. Isr. Phys. Soc., 1983, 6, 210. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Doucet, Gilbert, et al., 1975
Doucet, J.; Gilbert, R.; Sauvageau, P.; Sandorfy, C.,
Photoelectron and far-ultraviolet spectra of CF3Br, CF2BrCl, and CF2Br2,
J. Chem. Phys., 1975, 62, 366. [all data]
Davidson, 1951
Davidson, N.,
J. Am. Chem. Soc, 1951, 73, 467. [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
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- Symbols used in this document:
IE (evaluated) Recommended ionization energy Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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