1-Bromo-2-chloro-1,1,2-trifluoroethane
- Formula: C2HBrClF3
- Molecular weight: 197.382
- IUPAC Standard InChIKey: KFTODZKBBUMDQB-UHFFFAOYSA-N
- CAS Registry Number: 354-06-3
- 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-bromo-2-chloro-1,1,2-trifluoro-; 1,1,2-Trifluoro-1-bromo-2-chloroethane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -156.5 ± 1.3 | kcal/mol | Ccr | Papina, Erastov, et al., 1981 | Reanalyzed by Kolesov and Papina, 1983, Original value = -154.1 ± 1.5 kcal/mol |
Condensed 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.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -161.4 ± 1.5 | kcal/mol | Ccr | Papina, Erastov, et al., 1981 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -192.7 ± 1.2 | kcal/mol | Ccr | Papina, Erastov, et al., 1981 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.31 | 298.15 | Vesely, Zabransky, et al., 1988 | T = 298 to 318 K. Cp(J/mol*K) = 115.64 + 0.1501(T/K) (298 to 318 K).; DH |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 323. to 328. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 325.6 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 146.2 | K | N/A | Golovanova and Kolesov, 1984 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 499.8 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.199 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 7.17 ± 0.02 | kcal/mol | C | Majer, Svoboda, et al., 1981 | AC |
ΔvapH° | 7.29 | kcal/mol | E | Papina, Erastov, et al., 1981 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.766 | 325.6 | N/A | Majer and Svoboda, 1985 | |
6.93 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1981 | AC |
6.72 ± 0.02 | 328. | C | Majer, Svoboda, et al., 1981 | AC |
6.50 ± 0.02 | 343. | 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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 343. | 10.91 | 0.2804 | 499.8 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.047 | 146.2 | Golovanova and Kolesov, 1984, 2 | DH |
1.05 | 146.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.15 | 146.2 | Golovanova and Kolesov, 1984, 2 | 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: HBr + C2ClF3 = C2HBrClF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.07 ± 0.23 | kcal/mol | Cm | Lacher, Lea, et al., 1950 | gas phase; Heat of hydrobromination at 367°K |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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, 1998. |
NIST MS number | 291930 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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.
Papina, Erastov, et al., 1981
Papina, T.S.; Erastov, P.A.; Kolesov, V.P.,
The enthalpies of formation of 1,1,1-trifluoro-2-chloro-2-bromoethane and 1,1,2-trifluoro-2-chloro-1-bromoethane,
J. Chem. Thermodyn., 1981, 13, 683-689. [all data]
Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S.,
Thermochemistry of Haloethanes,
Russ. Chem. Rev., 1983, 52, 425. [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]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]
Golovanova and Kolesov, 1984
Golovanova, Y.G.; Kolesov, V.P.,
Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds,
Vestn. Mosk. Univ., Ser. 2: Khim., 1984, 25, 244. [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]
Golovanova and Kolesov, 1984, 2
Golovanova, Yu.G.; Kolesov, V.P.,
Enthalpies of melting, melting temperatures, and cryoscopic constants of some haloorganic compounds, Vestn. Mosk Univ.,
Ser. 2: Khim., 1984, 25(3), 244-248. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Lacher, Lea, et al., 1950
Lacher, J.R.; Lea, K.R.; Walden, C.H.; Olson, G.G.; Park, J.D.,
Reaction heats of organic fluorine compounds. III. The vapor phase heats of hydrobromination of some simple fluoroolefins,
J. Am. Chem. Soc., 1950, 72, 3231-3234. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy 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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