Ethane, 1,1,1-trifluoro-
- Formula: C2H3F3
- Molecular weight: 84.0404
- IUPAC Standard InChIKey: UJPMYEOUBPIPHQ-UHFFFAOYSA-N
- CAS Registry Number: 420-46-2
- 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: Methylfluoroform; 1,1,1-Trifluoroethane; CH3CF3; Freon 143a; FC 143a; Fluorocarbon FC143a; R 143a; 1,1,1-Trifluoroform
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 224.10 | J/mol*K | N/A | Russell, Golding, et al., 1944 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
109.66 | 220. | Russell, Golding, et al., 1944 | T = 15 to 226 K. |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 226. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 226.45 | K | N/A | Henne and Renoll, 1936 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 161.82 | K | N/A | Russell, Golding, et al., 1944, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 345.860 | K | N/A | Fujiwara, Nakamura, et al., 1998 | Uncertainty assigned by TRC = 0.05 K; For ITS-90 scale. Includes review of and comparison with previous literature; TRC |
Tc | 345.860 | K | N/A | Aoyama, Kishizawa, et al., 1996 | Uncertainty assigned by TRC = 0.02 K; For ITS-90, at temperture corres. to DC, includes review of and comparison with previous literture; TRC |
Tc | 345.97 | K | N/A | Fukushima, 1993 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 346.25 | K | N/A | Mears, Stahl, et al., 1955 | Uncertainty assigned by TRC = 0.7 K; by sealed tube method; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 37.639 | bar | N/A | Fujiwara, Nakamura, et al., 1998 | Uncertainty assigned by TRC = 0.05 bar; includes review of and comparison with previous literature; TRC |
Pc | 34.116 | bar | N/A | Zhang, Sato, et al., 1995 | Uncertainty assigned by TRC = 0.05 bar; by extrapolation of vapor pressure to Tc from previous publ.; TRC |
Pc | 37.69 | bar | N/A | Fukushima, 1993 | Uncertainty assigned by TRC = 0.05 bar; TRC |
Pc | 37.5763 | bar | N/A | Mears, Stahl, et al., 1955 | Uncertainty assigned by TRC = 1.0342 bar; from vapor pressure equation at Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 5.16 | mol/l | N/A | Fujiwara, Nakamura, et al., 1998 | Uncertainty assigned by TRC = 0.04 mol/l; includes review of and comparison with previous literature; TRC |
ρc | 5.16 | mol/l | N/A | Aoyama, Kishizawa, et al., 1996 | Uncertainty assigned by TRC = 0.02 mol/l; at critical opalesence, includes review of and comparison with previous literature; TRC |
ρc | 5.10 | mol/l | N/A | Fukushima, 1993 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
ρc | 5.16 | mol/l | N/A | Mears, Stahl, et al., 1955 | Uncertainty assigned by TRC = 0.18 mol/l; rectilinear diameters; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
19.175 | 224.40 | N/A | Russell, Golding, et al., 1944 | P - 94.54 kPa; DH |
18.1 | 240. | EB | Weber and Defibaugh, 1996 | Based on data from 236. to 280. K.; AC |
17.5 | 250. | EB | Weber and Defibaugh, 1996 | Based on data from 236. to 280. K.; AC |
16.7 | 260. | EB | Weber and Defibaugh, 1996 | Based on data from 236. to 280. K.; AC |
15.9 | 270. | EB | Weber and Defibaugh, 1996 | Based on data from 236. to 280. K.; AC |
18.9 | 233. | BG | Mears, Stahl, et al., 1955, 2 | AC |
16.4 | 273. | BG | Mears, Stahl, et al., 1955, 2 | AC |
13.8 | 303. | BG | Mears, Stahl, et al., 1955, 2 | AC |
8.7 | 333. | BG | Mears, Stahl, et al., 1955, 2 | AC |
20.5 | 211. | N/A | Russell, Golding, et al., 1944 | Based on data from 174. to 226. K.; AC |
19.2 ± 0.1 | 224. | C | Russell, Golding, et al., 1944 | AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
85.45 | 224.40 | Russell, Golding, et al., 1944 | P; DH |
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 | Comment |
---|---|---|---|---|---|
173.60 to 225.78 | 4.02423 | 786.645 | -30.093 | Russell, Golding, et al., 1944 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.19 | 161.9 | Acree, 1991 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.297 | 156.35 | crystaline, II | crystaline, I | Russell, Golding, et al., 1944 | DH |
6.192 | 161.82 | crystaline, I | liquid | Russell, Golding, et al., 1944 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.90 | 156.35 | crystaline, II | crystaline, I | Russell, Golding, et al., 1944 | DH |
38.26 | 161.82 | crystaline, I | liquid | Russell, Golding, et al., 1944 | DH |
Gas phase ion energetics data
Go To: Top, Condensed 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.3 ± 0.1 | EI | Simmie and Tschuikow-Roux, 1971 | LLK |
13.8 | PE | Sauvageau, Doucet, et al., 1974 | Vertical value; LLK |
12.9 ± 0.1 | SI | Gol'denfel'd, Korostyshevskii, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF3+ | 13.9 | CH3 | PI | Loguinov, Takhistov, et al., 1981 | LLK |
CF3+ | 13.9 ± 0.1 | CH3 | EI | Simmie and Tschuikow-Roux, 1971 | LLK |
CF3+ | 13.90 ± 0.03 | CH3 | EI | Steele and Stone, 1962 | RDSH |
CH2+ | 16.2 ± 0.3 | ? | EI | Steele and Stone, 1962 | RDSH |
CH2F+ | 15.6 ± 0.2 | ? | EI | Steele and Stone, 1962 | RDSH |
CH3+ | 15.0 | CF3 | PI | Loguinov, Takhistov, et al., 1981 | LLK |
CH3+ | 15.0 ± 0.1 | ? | EI | Steele and Stone, 1962 | RDSH |
C2H2F+ | 15.8 ± 0.2 | ? | EI | Steele and Stone, 1962 | RDSH |
C2H2F2+ | 11.2 ± 0.1 | HF | EI | Steele and Stone, 1962 | RDSH |
C2H3F2+ | 14.9 | F | PI | Loguinov, Takhistov, et al., 1981 | LLK |
C2H3F2+ | 15.1 ± 0.1 | F | EI | Simmie and Tschuikow-Roux, 1971 | LLK |
C2H3F2+ | 14.9 ± 0.2 | F | EI | Steele and Stone, 1962 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Condensed 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: 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. |
---|---|
NIST MS number | 19362 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.
Russell, Golding, et al., 1944
Russell, H., Jr.; Golding, D.R.V.; Yost, D.M.,
The heat capacity, heats of transition, fusion and vaporization, vapor pressure and entropy of 1,1,1-trifluoroethane,
J. Am. Chem. Soc., 1944, 66, 16-20. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Henne and Renoll, 1936
Henne, A.L.; Renoll, M.W.,
J. Am. Chem. Soc., 1936, 58, 889. [all data]
Russell, Golding, et al., 1944, 2
Russell, H.K.; Golding, D.R.; Yost, D.M.,
The heat capacity, heat of transition, fusion & vaporization, Vapor press. and entropy of 1,1,1-trifluoroethane,
J. Am. Chem. Soc., 1944, 66, 16. [all data]
Fujiwara, Nakamura, et al., 1998
Fujiwara, K.; Nakamura, S.; Noguchi, M.,
Critical Parameters and Vapor Pressure Measurements for 1,1,1-Trifluoroethane (R-143a),
J. Chem. Eng. Data, 1998, 43, 55-9. [all data]
Aoyama, Kishizawa, et al., 1996
Aoyama, H.; Kishizawa, G.; Sato, H.; Watanabe, K.,
Vapor-Liquid Coexistence Curves in the Critical Region and the Critical Temperatures and Densities of 1,1,1,2-Tetrafluoroethane (R-134a), 1,1,1- Trifluoroethane (R-143a), and 1,1,1,2,3,3- Hexafluorop,
J. Chem. Eng. Data, 1996, 41, 1046-1051. [all data]
Fukushima, 1993
Fukushima, M.,
Measurements of vapor pressure , vapor-liquid coexistence curve and critical parameters of HFC-143a,
Nippon Reito Kyokai Ronbunshu, 1993, 10, 87-93. [all data]
Mears, Stahl, et al., 1955
Mears, W.H.; Stahl, R.F.; Orfeo, S.R.; Shair, R.C.; Kells, L.F.; Thompson, W.; McCann, H.,
Thermodynamic Properties of Halogenated Ethanes and Ethylenes,
Ind. Eng. Chem., 1955, 47, 1449. [all data]
Zhang, Sato, et al., 1995
Zhang, H.-L.; Sato, H.; Watanabe, K.,
Vapor Pressures, Gas-Phase PVT Properties, and Second Virial Coefficients for 1,1,1-Trifluoroethane,
J. Chem. Eng. Data, 1995, 40, 887-90. [all data]
Weber and Defibaugh, 1996
Weber, L.A.; Defibaugh, D.R.,
Vapor Pressures and PVT Properties of the Gas Phase of 1,1,1-Trifluoroethane,
J. Chem. Eng. Data, 1996, 41, 6, 1477-1480, https://doi.org/10.1021/je9602071
. [all data]
Mears, Stahl, et al., 1955, 2
Mears, Whitney H.; Stahl, Richard F.; Orfeo, S. Robert; Shair, Robert C.; Kells, Lyman F.; Thompson, Walter; McCann, Harold,
Thermodynamic Properties of Halogenated Ethanes and Ethylenes,
Ind. Eng. Chem., 1955, 47, 7, 1449-1454, https://doi.org/10.1021/ie50547a052
. [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]
Simmie and Tschuikow-Roux, 1971
Simmie, J.M.; Tschuikow-Roux, E.,
Mass spectrum, appearance potentials and bond dissociation energies of 1,1,1-trifluoroethane,
Int. J. Mass Spectrom. Ion Phys., 1971, 7, 41. [all data]
Sauvageau, Doucet, et al., 1974
Sauvageau, P.; Doucet, J.; Gilbert, R.; Sandorfy, C.,
Vacuum ultraviolet and photoelectron spectra of fluoroethanes,
J. Chem. Phys., 1974, 61, 391. [all data]
Gol'denfel'd, Korostyshevskii, et al., 1973
Gol'denfel'd, I.V.; Korostyshevskii, I.Z.; Mischanchuk, B.G.; Pokrovskii, V.A.,
Determination of ionization potentials of atoms and molecules using a field mass spectrometer equipped with an energy analyzer,
Dokl. Akad. Nauk SSSR, 1973, 213, 626. [all data]
Loguinov, Takhistov, et al., 1981
Loguinov, Y.; Takhistov, V.V.; Vatlina, L.P.,
Photoionization studies of substituted trimethylamines,
Org. Mass Spectrom., 1981, 16, 239. [all data]
Steele and Stone, 1962
Steele, W.C.; Stone, F.G.A.,
An electron impact study of 1,1,1-trifluoroethane, 1,1,1-trifluoropropane and 3,3,3-trifluoropropene,
J. Am. Chem. Soc., 1962, 84, 3450. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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