Ethane, 1,1-difluoro-

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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
Δfgas-118.78 ± 0.95kcal/molCcbKolesov, Shtekher, et al., 1968Reanalyzed by Kolesov and Papina, 1983, Original value = -117.3 ± 2.0 kcal/mol
Quantity Value Units Method Reference Comment
Δcgas-291.5 ± 2.0kcal/molCcbKolesov, Shtekher, et al., 1968 

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

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
28.038300.Nakagawa, Hori, et al., 1993T = 276 to 360 K. p = 0.629 MPa.
28.30298.17Porichanskii, Ponomareva, et al., 1982T = 220 to 425 K. Unsmoothed experimental datum. Cp data given as 1.793 J/g*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

Quantity Value Units Method Reference Comment
Tboil248.4KN/APCR Inc., 1990BS
Tboil248.5KN/AWeast and Grasselli, 1989BS
Tboil248.45KN/AHenne and Renoll, 1936Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple154.560KN/ABlanke and Weiss, 1992Uncertainty assigned by TRC = 0.01 K; IPT-90; TRC
Ttriple154.560KN/ABlanke and Weiss, 1991Uncertainty assigned by TRC = 0.01 K; on ITS-90; TRC
Quantity Value Units Method Reference Comment
Ptriple0.00059atmN/ABlanke and Weiss, 1992Uncertainty assigned by TRC = 0.00007 atm; TRC
Ptriple0.00059atmN/ABlanke and Weiss, 1991Uncertainty assigned by TRC = 0.0001 atm; TRC
Quantity Value Units Method Reference Comment
Tc386.5 ± 0.2KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc44.36atmN/AFransson, Barreau, et al., 1992Uncertainty assigned by TRC = 0.099 atm; TRC
Pc44.566atmN/ATamatsu, Sato, et al., 1992Uncertainty assigned by TRC = 0.03 atm; TRC
Pc44.607atmN/AHigashi, Ashizawa, et al., 1987Uncertainty assigned by TRC = 0.01 atm; TRC
Pc44.3658atmN/AMears, Stahl, et al., 1955Uncertainty assigned by TRC = 1.0207 atm; from vapor pressure eq. at Tc; TRC
Quantity Value Units Method Reference Comment
ρc5.57 ± 0.04mol/lAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.43249.IKul, DesMarteau, et al., 2001Based on data from 218. to 248. K.; AC
5.28318.N/ALim, Park, et al., 1999Based on data from 303. to 333. K.; AC
5.57234.EBSilva and Weber, 1993Based on data from 219. to 273. K.; AC
5.21265.AStephenson and Malanowski, 1987Based on data from 250. to 386. K.; AC
5.21233.BGMears, Stahl, et al., 1955, 2AC
4.88273.BGMears, Stahl, et al., 1955, 2AC
4.25313.BGMears, Stahl, et al., 1955, 2AC
3.08353.BGMears, Stahl, et al., 1955, 2AC
5.69232.N/AStull, 1947Based on data from 161. to 247. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
160.7 to 246.74.22835896.171-34.714Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.375154.6Magee, 1998AC

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

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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:
B - John E. Bartmess
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

Chlorine anion + Ethane, 1,1-difluoro- = (Chlorine anion • Ethane, 1,1-difluoro-)

By formula: Cl- + C2H4F2 = (Cl- • C2H4F2)

Quantity Value Units Method Reference Comment
Δr14.9 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr8.1 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

3Hydrogen + Ethene, 1,1-dichloro-2,2-difluoro- = Ethane, 1,1-difluoro- + 2Hydrogen chloride

By formula: 3H2 + C2Cl2F2 = C2H4F2 + 2HCl

Quantity Value Units Method Reference Comment
Δr-83.33kcal/molChydLacher, Kianpour, et al., 1956gas phase; At 410 K; ALS

2Hydrogen + Ethene, 2-chloro-1,1-difluoro- = Ethane, 1,1-difluoro- + Hydrogen chloride

By formula: 2H2 + C2HClF2 = C2H4F2 + HCl

Quantity Value Units Method Reference Comment
Δr-61.77kcal/molChydLacher, Kianpour, et al., 1956gas phase; At 410 K; ALS

Ethane, 1,1-difluoro- + Iodine = Hydrogen iodide + 1-Bromo-1,1-difluoroethane

By formula: C2H4F2 + I2 = HI + C2H3BrF2

Quantity Value Units Method Reference Comment
Δr12.2 ± 0.2kcal/molEqkPickard and Rodgers, 1977gas phase; ALS

Ethene, fluoro- + hydrogen fluoride = Ethane, 1,1-difluoro-

By formula: C2H3F + HF = C2H4F2

Quantity Value Units Method Reference Comment
Δr-12.kcal/molEqkMoore, 1971gas phase; ALS

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.037 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 3005. K.
0.049 VN/A 

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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)11.865 ± 0.030eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
11.865 ± 0.030PIHeinis, Bar, et al., 1985LBLHLM
11.864 ± 0.029PIHeinis, Bar, et al., 1984LBLHLM
12.68EILifshitz and Long, 1965RDSH
12.8PESauvageau, Doucet, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHF2+12.808 ± 0.020CH3PIHeinis, Bar, et al., 1985LBLHLM
CHF2+13.21CH3EILifshitz and Long, 1965RDSH
CH2F+14.66 ± 0.04CH2FPIHeinis, Bar, et al., 1985LBLHLM
CH3+14.25 ± 0.05CHF2PIHeinis, Bar, et al., 1985LBLHLM
CH3+18.6?EILifshitz and Long, 1965RDSH
C2H2F+≤14.67 ± 0.06F-+H2PIHeinis, Bar, et al., 1985LBLHLM
C2H2F+15.52 ± 0.04HF+HPIHeinis, Bar, et al., 1985LBLHLM
C2H2F2+16.5H2EILifshitz and Long, 1965RDSH
C2H3+15.07 ± 0.05F-+HFPIHeinis, Bar, et al., 1985LBLHLM
C2H3+15.73 ± 0.05F+HFPIHeinis, Bar, et al., 1985LBLHLM
C2H3F+13.40 ± 0.05HFPIHeinis, Bar, et al., 1985LBLHLM
C2H3F+14.8?EILifshitz and Long, 1965RDSH
C2H3F2+12.203 ± 0.030HPIHeinis, Bar, et al., 1985LBLHLM
C2H3F2+12.203 ± 0.024HPIHeinis, Bar, et al., 1984LBLHLM
C2H3F2+12.18 ± 0.03HPIWilliamson, LeBreton, et al., 1976LLK
C2H3F2+12.33HEILifshitz and Long, 1965RDSH
C2H4F+13.6 ± 0.1FPIHeinis, Bar, et al., 1985LBLHLM
C2H4F+11.87 ± 0.06F-PIHeinis, Bar, et al., 1985LBLHLM
C2H4F+14.8 ± 0.1FEISimmie and Tschuikow-Roux, 1971LLK
C2H4F+14.9FEILifshitz and Long, 1965RDSH

Ion clustering 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Chlorine anion + Ethane, 1,1-difluoro- = (Chlorine anion • Ethane, 1,1-difluoro-)

By formula: Cl- + C2H4F2 = (Cl- • C2H4F2)

Quantity Value Units Method Reference Comment
Δr14.9 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Δr8.1 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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 197

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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.

Kolesov, Shtekher, et al., 1968
Kolesov, V.P.; Shtekher, S.N.; Martynov, A.M.; Skuratov, S.M., Standard enthalpy of formation of 1,1-difluoroethane, Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 975-976. [all data]

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

Nakagawa, Hori, et al., 1993
Nakagawa, S.; Hori, T.; Sato, H., and Watanabe K., Isobaric heat capacity for liquid 1-chloro-1,1-difluorethane and 1,1-difluoroethane, J. Chem. Eng. Data, 1993, 38(1), 70-74. [all data]

Porichanskii, Ponomareva, et al., 1982
Porichanskii, E.G.; Ponomareva, O.P.; Svetlichnyi, P.I., Study of the isobaric heat capacity of Freon 152A in a wide range of parametric conditions, Izv. Vyssh. Uchebn. Zaved., Energ., 1982, (3), 122-125. [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]

Henne and Renoll, 1936
Henne, A.L.; Renoll, M.W., J. Am. Chem. Soc., 1936, 58, 889. [all data]

Blanke and Weiss, 1992
Blanke, W.; Weiss, R., Isochoric (p,v,T) measurements on 1,1-difluoroethane (R152a) in the liquid state from the triple point to 450 K and at pressures up to 30 MPa, Fluid Phase Equilib., 1992, 80, 179-90. [all data]

Blanke and Weiss, 1991
Blanke, W.; Weiss, R., Thermodynamic properties of refrigerants. Part I: the triple points of the refrigerants R11, R12, R22, R142b, and 152a, PTB-Mitt., 1991, 101, 337-9. [all data]

Fransson, Barreau, et al., 1992
Fransson, E.; Barreau, A.; Vidal, J., Vapor-liquid equilibrium in binary systems of n-pentane + chlorodifluoromethane or + 1,1-difluoroethane, J. Chem. Eng. Data, 1992, 37, 521-5. [all data]

Tamatsu, Sato, et al., 1992
Tamatsu, T.; Sato, T.; Sato, H.; Watanabe, K., An experimental study of the thermodynamic properties of 1,1-difluoroethane, Int. J. Thermophys., 1992, 13, 985-97. [all data]

Higashi, Ashizawa, et al., 1987
Higashi, Y.; Ashizawa, M.; Kabata, Y.; Majima, T.; Uematsu, M.; Watanabe, K., Measurements of vapor pressure, vapor-liquid coexistence curve and critical parameters of Refrigerant 152a, JSME Int. J., 1987, 30, 1106-12. [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]

Kul, DesMarteau, et al., 2001
Kul, Ismail; DesMarteau, Darryl D.; Beyerlein, Adolph L., Vapor--liquid equilibria for CF3OCF2H/fluorinated ethane and CF3SF5/fluorinated ethane mixtures as potential R22 alternatives, Fluid Phase Equilibria, 2001, 185, 1-2, 241-253, https://doi.org/10.1016/S0378-3812(01)00474-5 . [all data]

Lim, Park, et al., 1999
Lim, Jong Sung; Park, Ji-Young; Lee, Byung-Gwon; Lee, Youn-Woo; Kim, Jae-Duck, Phase Equilibria of CFC Alternative Refrigerant Mixtures: Binary Systems of Isobutane + 1,1,1,2-Tetrafluoroethane, + 1,1-Difluoroethane, and + Difluoromethane, J. Chem. Eng. Data, 1999, 44, 6, 1226-1230, https://doi.org/10.1021/je9900777 . [all data]

Silva and Weber, 1993
Silva, Alberto M.; Weber, Lloyd A., Ebulliometric measurement of the vapor pressure of 1-chloro-1,1-difluoroethane and 1,1-difluoroethane, J. Chem. Eng. Data, 1993, 38, 4, 644-646, https://doi.org/10.1021/je00012a043 . [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]

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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Magee, 1998
Magee, J.W., International Journal of Thermophysics, 1998, 19, 5, 1397-1420, https://doi.org/10.1023/A:1021983502589 . [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]

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]

Pickard and Rodgers, 1977
Pickard, J.M.; Rodgers, A.S., The kinetics and thermochemistry of the reaction of 1,1-difluoroethane with iodine. The difluoromethylene-hydrogen bond dissociation energy in 1,1-difluoroethane and the heat of formation of 1,1-difluoroethyl, J. Am. Chem. Soc., 1977, 99, 691-694. [all data]

Moore, 1971
Moore, L.O., Kinetics and thermodynamic data for the hydrogen fluoride addition to vinyl fluoride, Can. J. Chem., 1971, 49, 2471-2475. [all data]

Heinis, Bar, et al., 1985
Heinis, T.; Bar, R.; Borlin, K.; Jungen, M., Photoionization mass spectrometry of 1,1-difluoroethane, Chem. Phys., 1985, 94, 235. [all data]

Heinis, Bar, et al., 1984
Heinis, T.; Bar, R.; Borlin, K.; Jungen, M., Photoionization of 1,1-difluoroethane: The structure of the C2H3F2+ ions, Chem. Phys. Lett., 1984, 105, 327. [all data]

Lifshitz and Long, 1965
Lifshitz, C.; Long, F.A., Appearance potentials and mass spectra of fluorinated ethylenes. II. Heats offormation of fluorinated species and their positive ions, J. Phys. Chem., 1965, 69, 3731. [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]

Williamson, LeBreton, et al., 1976
Williamson, A.D.; LeBreton, P.R.; Beauchamp, J.L., Photoionization mass spectrometry of 2-fluoropropane and 2,2-difluoropropane. A novel determination of the proton affinity of vinyl fluoride and 1,1-difluoroethylene, J. Am. Chem. Soc., 1976, 98, 2705. [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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References