1,2-Dibromotetrafluoroethane
- Formula: C2Br2F4
- Molecular weight: 259.823
- IUPAC Standard InChIKey: KVBKAPANDHPRDG-UHFFFAOYSA-N
- CAS Registry Number: 124-73-2
- 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: Ethane, 1,2-dibromo-1,1,2,2-tetrafluoro-; Ethane, 1,2-dibromotetrafluoro-; s-Dibromotetrafluoroethane; F-114B2; Freon 114B2; Halon 2402; 1,2-Dibromo-1,1,2,2-tetrafluoroethane; 1,2-Dibromoperfluoroethane; (CF2Br)2; Fluorocarbon 114B2; sym-Dibromotetrafluoroethane; FC 114B2; Fluobrene; Khladon 114B2; R 114B2; Daiflon 114B2; 76199-55-8; 1,2-Dibromo tetrafluoro methane
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 71.56 | cal/mol*K | N/A | Kosarukina, Zhogin, et al., 1982 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.54 | 298.15 | Vesely, Zabransky, et al., 1988 | T = 298 to 318 K. Cp(J/mol*K) = 131.53 + 0.1420(T/K) (298 to 318 K). |
40.82 | 298.15 | Kosarukina, Zhogin, et al., 1982 | T = 8 to 300 K. |
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 320. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 161.65 | K | N/A | Ruff and Bretschneider, 1933 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 162.83 | K | N/A | Kosarukina, Zhogin, et al., 1982, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 487.8 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.838 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 6.81 | kcal/mol | A | Stephenson and Malanowski, 1987 | Based on data from 283. to 357. K.; AC |
ΔvapH° | 6.79 ± 0.02 | kcal/mol | C | Majer, Svoboda, et al., 1981 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.460 | 320.3 | N/A | Majer and Svoboda, 1985 | |
6.43 | 369. | A | Stephenson and Malanowski, 1987 | Based on data from 354. to 443. K.; AC |
6.48 | 455. | A | Stephenson and Malanowski, 1987 | Based on data from 440. to 488. K.; AC |
7.17 | 280. | N/A | Stephenson and Malanowski, 1987 | Based on data from 246. to 295. K. See also Dykyj, 1970.; AC |
6.57 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1981 | AC |
6.33 ± 0.02 | 328. | C | Majer, Svoboda, et al., 1981 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 328. | 10.63 | 0.2884 | 487.8 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.68 | 162.8 | Acree, 1991 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.6818 | 162.83 | crystaline, I | liquid | Kosarukina, Zhogin, et al., 1982 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
10.33 | 162.83 | crystaline, I | liquid | Kosarukina, Zhogin, et al., 1982 | DH |
Reaction 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.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C2F4 + Br2 = C2Br2F4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.48 | kcal/mol | Cm | Lacher, Casali, et al., 1956 | gas phase; Heat of bromination |
By formula: C2Br2F4 = C2F4 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.478 | kcal/mol | Cm | Lacher, Casali, et al., 1956 | gas phase |
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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.1 | PE | Chau and McDowell, 1976 | |
11.44 ± 0.01 | PE | Chau and McDowell, 1976 | Vertical value |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1992 |
NIST MS number | 125435 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kosarukina, Zhogin, et al., 1982
Kosarukina, E.A.; Zhogin, D.Yu.; Kolesov, V.P.; Kuramshina, G.M.; Pentin, Yu.A.; Izmest'ev, I.V.; Danilov, A.V.,
Heat capacity in the range 8-300 K, thermodynamic functions, and conformational isomerism of 1,2-dibromotetrafluoroethane,
Zhur. Fiz. Khim., 1982, 56, 1892-1896. [all data]
Vesely, Zabransky, et al., 1988
Vesely, F.; Zabransky, M.; Barcal, P.; Svoboda, V.,
Molar heat capacities of four liquid fluorinated and halogenated ethanes,
J. Chem. Thermodynam., 1988, 20, 1283-1285. [all data]
Ruff and Bretschneider, 1933
Ruff, O.; Bretschneider, O.,
The Preparation of Hexafluoroethane and Tetrafluoroethene from Tetrafluoromethane,
Z. Anorg. Allg. Chem., 1933, 210, 173. [all data]
Kosarukina, Zhogin, et al., 1982, 2
Kosarukina, E.A.; Zhogin, D.Yu.; Kolesov, V.P.; Kuramshina, G.M.; Pentin, Y.A.; Izmest'ev, I.V.,
Heat capacity in the range 8-300 K, thermodyn. functions, and conformational isomerism of 1,2-dibromotetrafluoroethane,
Zh. Fiz. Khim., 1982, 56, 1892. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]
Majer, Svoboda, et al., 1981
Majer, Vladimír; Svoboda, Václav; Posta, Antonín; Pick, Jirí,
Determination of heats of vaporization and some other thermodynamic quantities for three fluorinated halogen ethanes,
Collect. Czech. Chem. Commun., 1981, 46, 4, 817-822, https://doi.org/10.1135/cccc19810817
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Lacher, Casali, et al., 1956
Lacher, J.R.; Casali, L.; Park, J.D.,
Reaction heats of organic halogen compounds V. The vapor phase bromination of tetrafluoroethylene and trifluorochloroethylene,
J. Phys. Chem., 1956, 60, 608-610. [all data]
Chau and McDowell, 1976
Chau, F.T.; McDowell, C.A.,
Photoelectron spectra of 1,2-dibromo-1,1-difluoroethane, 1,2-bromochloroethane, and 1,2-dichloro-, 1,2-dibromo-, and 1,2-diiodotetrafluoroethane,
J. Phys. Chem., 1976, 80, 2923. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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