1,1,2-Trifluoroethane
- Formula: C2H3F3
- Molecular weight: 84.0404
- IUPAC Standard InChIKey: WGZYQOSEVSXDNI-UHFFFAOYSA-N
- CAS Registry Number: 430-66-0
- 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: CH2FCHF2; Ethane, 1,1,2-trifluoro-
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Gas phase thermochemistry data
Go To: Top, 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 | -691.0 ± 10. | kJ/mol | Chyd | Kolesov, Martynov, et al., 1965 | Reanalyzed by Kolesov and Papina, 1983, Original value = -721.3 kJ/mol |
Phase change data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 278. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 278.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 276. | K | N/A | Young, Fukuhara, et al., 1940 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 278.15 | K | N/A | Henne and Renoll, 1936 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 189. | K | N/A | Young, Fukuhara, et al., 1940 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 429.800 | K | N/A | Holcomb and Van Poolen, 1994 | Uncertainty assigned by TRC = 0.7 K; Recommended value based on oberved and literature data and correlations; TRC |
Tc | 461.6 | K | N/A | Chae, Schmidt, et al., 1990 | Uncertainty assigned by TRC = 0.5 K; by extrapolation to equality of L and G refr. index; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 52.41 | bar | N/A | Holcomb and Van Poolen, 1994 | Uncertainty assigned by TRC = 0.08 bar; Recommended value based on oberved and literature data and correlations; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 5.58 | mol/l | N/A | Holcomb and Van Poolen, 1994 | Uncertainty assigned by TRC = 0.06 mol/l; Recommended value based on oberved and literature data and correlations; TRC |
ρc | 6.54 | mol/l | N/A | Chae, Schmidt, et al., 1990 | Uncertainty assigned by TRC = 0.1 mol/l; derived from obs L and G refractive index; TRC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - 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: CN- + C2H3F3 = (CN- • C2H3F3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.0 | kJ/mol | ICR | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 104. | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 46.0 | kJ/mol | ICR | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
By formula: Cl- + C2H3F3 = (Cl- • C2H3F3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79.1 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 47.7 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
By formula: F- + C2H3F3 = (F- • C2H3F3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 111. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 108. | J/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 78.7 | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
By formula: 2H2 + C2ClF3 = C2H3F3 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -267.7 ± 2.1 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -271.6 kJ/mol; At 410 K; ALS |
Mass spectrum (electron ionization)
Go To: Top, Gas 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
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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 | T.J. Bruno, Cent. Chem. Technol., NIST, Boulder, CO 80303, USA |
NIST MS number | 142370 |
References
Go To: Top, Gas 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.
Kolesov, Martynov, et al., 1965
Kolesov, V.P.; Martynov, A.M.; Skuratov, S.M.,
Standard enthalpy of formation of 1,1,1-trifluoroethane,
Russ. J. Phys. Chem. (Engl. Transl.), 1965, 39, 223-225. [all data]
Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S.,
Thermochemistry of Haloethanes,
Russ. Chem. Rev., 1983, 52, 425. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Young, Fukuhara, et al., 1940
Young, D.W.S.; Fukuhara, N.; Bigelow, L.A.,
The Action of Elementary Fluorine Upon Organic Compounds VIII. The Influence of Dilution on the Vapor Phase Fluorination of Ethane,
J. Am. Chem. Soc., 1940, 62, 1171. [all data]
Henne and Renoll, 1936
Henne, A.L.; Renoll, M.W.,
J. Am. Chem. Soc., 1936, 58, 889. [all data]
Holcomb and Van Poolen, 1994
Holcomb, C.D.; Van Poolen, L.J.,
Coexisting densities and vapor pressures for R143 from 314 to 401 K with new critical point property estimates,
Fluid Phase Equilib., 1994, 100, 223-239. [all data]
Chae, Schmidt, et al., 1990
Chae, H.B.; Schmidt, J.W.; Moldover, M.R.,
Alternative refrigerants R123a, R134, R141b, R142b, and R152a: critical temperature, refractive index, surface tension, and estimates of liquid, vapor, and critical densities,
J. Phys. Chem., 1990, 94, 8840-5. [all data]
Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids,
J. Am. Chem. Soc., 1987, 109, 6230. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
J. Am. Chem. Soc., 1983, 105, 2944. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Oetting, F.; Park, J.D.,
Reaction calorimetry. The hydrogenation of organic fluorides and chlorides,
Trans. Faraday Soc., 1956, 52, 1500-1508. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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