Ethane, 1,1-difluoro-
- Formula: C2H4F2
- Molecular weight: 66.0500
- IUPAC Standard InChI: InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3
- 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
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -118.78 ± 0.95 | kcal/mol | Ccb | Kolesov, Shtekher, et al., 1968 | Reanalyzed by Kolesov and Papina, 1983, Original value = -117.3 ± 2.0 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -291.5 ± 2.0 | kcal/mol | Ccb | Kolesov, Shtekher, et al., 1968 |
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
+
= (
•
)
By formula: Cl- + C2H4F2 = (Cl- • C2H4F2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.7 | cal/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° | 8.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
3 +
=
+ 2
By formula: 3H2 + C2Cl2F2 = C2H4F2 + 2HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -83.33 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; At 410 K; ALS |
2 +
=
+
By formula: 2H2 + C2HClF2 = C2H4F2 + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -61.77 | kcal/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° | 12.2 ± 0.2 | kcal/mol | Eqk | Pickard and Rodgers, 1977 | gas phase; ALS |
+
=
By formula: C2H3F + HF = C2H4F2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12. | kcal/mol | Eqk | Moore, 1971 | gas phase; ALS |
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
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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 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
+
= (
•
)
By formula: Cl- + C2H4F2 = (Cl- • C2H4F2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.9 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.7 | cal/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° | 8.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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]
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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔcH°gas Enthalpy of combustion of gas at standard conditions 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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