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Ethane, 1,1,1-trifluoro-

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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-748.7 ± 3.2kJ/molEqkWu and Rodgers, 1974Reanalyzed by Kolesov and Papina, 1983, Original value = -746. ± 2. kJ/mol; Heat of formation Unpublished results by B.J. Zwolinski
Deltafgas-749. ± 2.kJ/molCcbKolesov, Martynov, et al., 1965Corrected for CODATA value of «DELTA»fH; Authors hf298_gas[kcal/mol]=-174.1±0.4
Quantity Value Units Method Reference Comment
Deltacgas-1008. ± 2.kJ/molCcbKolesov, Martynov, et al., 1965Corrected for CODATA value of «DELTA»fH; Authors hf298_gas[kcal/mol]=-174.1±0.4

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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid224.10J/mol*KN/ARussell, Golding, et al., 1944 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
109.66220.Russell, Golding, et al., 1944T = 15 to 226 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil226.KN/APCR Inc., 1990BS
Tboil226.45KN/AHenne and Renoll, 1936Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple161.82KN/ARussell, Golding, et al., 1944, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc345.860KN/AFujiwara, Nakamura, et al., 1998Uncertainty assigned by TRC = 0.05 K; For ITS-90 scale. Includes review of and comparison with previous literature; TRC
Tc345.860KN/AAoyama, Kishizawa, et al., 1996Uncertainty assigned by TRC = 0.02 K; For ITS-90, at temperture corres. to DC, includes review of and comparison with previous literture; TRC
Tc345.97KN/AFukushima, 1993Uncertainty assigned by TRC = 0.2 K; TRC
Tc346.25KN/AMears, Stahl, et al., 1955Uncertainty assigned by TRC = 0.7 K; by sealed tube method; TRC
Quantity Value Units Method Reference Comment
Pc37.639barN/AFujiwara, Nakamura, et al., 1998Uncertainty assigned by TRC = 0.05 bar; includes review of and comparison with previous literature; TRC
Pc34.116barN/AZhang, Sato, et al., 1995Uncertainty assigned by TRC = 0.05 bar; by extrapolation of vapor pressure to Tc from previous publ.; TRC
Pc37.69barN/AFukushima, 1993Uncertainty assigned by TRC = 0.05 bar; TRC
Pc37.5763barN/AMears, Stahl, et al., 1955Uncertainty assigned by TRC = 1.0342 bar; from vapor pressure equation at Tc; TRC
Quantity Value Units Method Reference Comment
rhoc5.16mol/lN/AFujiwara, Nakamura, et al., 1998Uncertainty assigned by TRC = 0.04 mol/l; includes review of and comparison with previous literature; TRC
rhoc5.16mol/lN/AAoyama, Kishizawa, et al., 1996Uncertainty assigned by TRC = 0.02 mol/l; at critical opalesence, includes review of and comparison with previous literature; TRC
rhoc5.10mol/lN/AFukushima, 1993Uncertainty assigned by TRC = 0.04 mol/l; TRC
rhoc5.16mol/lN/AMears, Stahl, et al., 1955Uncertainty assigned by TRC = 0.18 mol/l; rectilinear diameters; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
19.175224.40N/ARussell, Golding, et al., 1944P - 94.54 kPa; DH
18.1240.EBWeber and Defibaugh, 1996Based on data from 236. - 280. K.; AC
17.5250.EBWeber and Defibaugh, 1996Based on data from 236. - 280. K.; AC
16.7260.EBWeber and Defibaugh, 1996Based on data from 236. - 280. K.; AC
15.9270.EBWeber and Defibaugh, 1996Based on data from 236. - 280. K.; AC
18.9233.BGMears, Stahl, et al., 1955, 2AC
16.4273.BGMears, Stahl, et al., 1955, 2AC
13.8303.BGMears, Stahl, et al., 1955, 2AC
8.7333.BGMears, Stahl, et al., 1955, 2AC
20.5211.N/ARussell, Golding, et al., 1944Based on data from 174. - 226. K.; AC
19.2 ± 0.1224.CRussell, Golding, et al., 1944AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
85.45224.40Russell, Golding, et al., 1944P; 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 - 225.784.02423786.645-30.093Russell, Golding, et al., 1944Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.19161.9Acree, 1991AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.297156.35crystaline, IIcrystaline, IRussell, Golding, et al., 1944DH
6.192161.82crystaline, IliquidRussell, Golding, et al., 1944DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.90156.35crystaline, IIcrystaline, IRussell, Golding, et al., 1944DH
38.26161.82crystaline, IliquidRussell, Golding, et al., 1944DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Site Links, NIST Free Links, 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

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

Ethane, 1,1,1-trifluoro- + Iodine = Hydrogen iodide + 1,1,1-Trifluoro-2-iodoethane

By formula: C2H3F3 + I2 = HI + C2H2F3I

Quantity Value Units Method Reference Comment
Deltar-64. ± 2.kJ/molEqkWu and Rodgers, 1974gas phase; Heat of formation Unpublished results by B.J. Zwolinski

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 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 ± 0.1EISimmie and Tschuikow-Roux, 1971LLK
13.8PESauvageau, Doucet, et al., 1974Vertical value; LLK
12.9 ± 0.1SIGol'denfel'd, Korostyshevskii, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF3+13.9CH3PILoguinov, Takhistov, et al., 1981LLK
CF3+13.9 ± 0.1CH3EISimmie and Tschuikow-Roux, 1971LLK
CF3+13.90 ± 0.03CH3EISteele and Stone, 1962RDSH
CH2+16.2 ± 0.3?EISteele and Stone, 1962RDSH
CH2F+15.6 ± 0.2?EISteele and Stone, 1962RDSH
CH3+15.0CF3PILoguinov, Takhistov, et al., 1981LLK
CH3+15.0 ± 0.1?EISteele and Stone, 1962RDSH
C2H2F+15.8 ± 0.2?EISteele and Stone, 1962RDSH
C2H2F2+11.2 ± 0.1HFEISteele and Stone, 1962RDSH
C2H3F2+14.9FPILoguinov, Takhistov, et al., 1981LLK
C2H3F2+15.1 ± 0.1FEISimmie and Tschuikow-Roux, 1971LLK
C2H3F2+14.9 ± 0.2FEISteele and Stone, 1962RDSH

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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Mass 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 19362

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Site Links, NIST Free Links, 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

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101268.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Site Links, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Wu and Rodgers, 1974
Wu, E.; Rodgers, A.S., Thermochemistry of gas-phase equilibrium CF3CH3 + I2 = CF3CH2I + HI. The carbon-hydrogen bond dissociation energy in 1,1,1-trifluoroethane and the heat of formation of the 2,2,2-trifluoroethyl radical, J. Phys. Chem., 1974, 78, 2315-2317. [all data]

Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S., Thermochemistry of Haloethanes, Russ. Chem. Rev., 1983, 52, 425. [all data]

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]

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]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Site Links, NIST Free Links, References