Ethane, 1,1-difluoro-
- Formula: C2H4F2
- Molecular weight: 66.0500
- IUPAC Standard InChIKey: NPNPZTNLOVBDOC-UHFFFAOYSA-N
- CAS Registry Number: 75-37-6
- 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: Ethylidene fluoride; Algofrene Type 67; Freon 152a; FC 152a; Genetron 152a; R 152a; 1,1-Difluoroethane; CH3CHF2; Ethylidene difluoride; GENETRON 100; Propellant 152a; Halocarbon 152A; UN 1030; Dymel 152; Dymel 152A; HFC 152a
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 | -497.0 ± 4.0 | kJ/mol | Ccb | Kolesov, Shtekher, et al., 1968 | Reanalyzed by Kolesov and Papina, 1983, Original value = -490.8 ± 8.4 kJ/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -1220. ± 8.4 | kJ/mol | Ccb | Kolesov, 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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
117.31 | 300. | Nakagawa, Hori, et al., 1993 | T = 276 to 360 K. p = 0.629 MPa. |
118.4 | 298.17 | Porichanskii, Ponomareva, et al., 1982 | T = 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 |
---|---|---|---|---|---|
Tboil | 248.4 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 248.5 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 248.45 | K | N/A | Henne and Renoll, 1936 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 154.560 | K | N/A | Blanke and Weiss, 1992 | Uncertainty assigned by TRC = 0.01 K; IPT-90; TRC |
Ttriple | 154.560 | K | N/A | Blanke and Weiss, 1991 | Uncertainty assigned by TRC = 0.01 K; on ITS-90; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.00060 | bar | N/A | Blanke and Weiss, 1992 | Uncertainty assigned by TRC = 0.00007 bar; TRC |
Ptriple | 0.00060 | bar | N/A | Blanke and Weiss, 1991 | Uncertainty assigned by TRC = 0.0001 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 386.5 ± 0.2 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 44.95 | bar | N/A | Fransson, Barreau, et al., 1992 | Uncertainty assigned by TRC = 0.10 bar; TRC |
Pc | 45.157 | bar | N/A | Tamatsu, Sato, et al., 1992 | Uncertainty assigned by TRC = 0.03 bar; TRC |
Pc | 45.198 | bar | N/A | Higashi, Ashizawa, et al., 1987 | Uncertainty assigned by TRC = 0.01 bar; TRC |
Pc | 44.9536 | bar | N/A | Mears, Stahl, et al., 1955 | Uncertainty assigned by TRC = 1.0342 bar; from vapor pressure eq. at Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 5.57 ± 0.04 | mol/l | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
22.7 | 249. | I | Kul, DesMarteau, et al., 2001 | Based on data from 218. to 248. K.; AC |
22.1 | 318. | N/A | Lim, Park, et al., 1999 | Based on data from 303. to 333. K.; AC |
23.3 | 234. | EB | Silva and Weber, 1993 | Based on data from 219. to 273. K.; AC |
21.8 | 265. | A | Stephenson and Malanowski, 1987 | Based on data from 250. to 386. K.; AC |
21.8 | 233. | BG | Mears, Stahl, et al., 1955, 2 | AC |
20.4 | 273. | BG | Mears, Stahl, et al., 1955, 2 | AC |
17.8 | 313. | BG | Mears, Stahl, et al., 1955, 2 | AC |
12.9 | 353. | BG | Mears, Stahl, et al., 1955, 2 | AC |
23.8 | 232. | N/A | Stull, 1947 | Based on data from 161. to 247. K.; AC |
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 |
---|---|---|---|---|---|
160.7 to 246.7 | 4.23406 | 896.171 | -34.714 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.57 | 154.6 | Magee, 1998 | AC |
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
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Individual Reactions
By formula: Cl- + C2H4F2 = (Cl- • C2H4F2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.3 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 95.0 | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: 3H2 + C2Cl2F2 = C2H4F2 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -348.7 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; At 410 K; ALS |
By formula: 2H2 + C2HClF2 = C2H4F2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -258.4 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; At 410 K; ALS |
By formula: C2H4F2 + I2 = HI + C2H3BrF2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.0 ± 0.8 | kJ/mol | Eqk | Pickard and Rodgers, 1977 | gas phase; ALS |
By formula: C2H3F + HF = C2H4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50. | kJ/mol | Eqk | Moore, 1971 | gas 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) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.037 | Q | N/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 | V | N/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 ± 0.030 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.865 ± 0.030 | PI | Heinis, Bar, et al., 1985 | LBLHLM |
11.864 ± 0.029 | PI | Heinis, Bar, et al., 1984 | LBLHLM |
12.68 | EI | Lifshitz and Long, 1965 | RDSH |
12.8 | PE | Sauvageau, Doucet, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
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 |
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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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 | 197 |
Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 326. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 242. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
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, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [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, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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