Ethene, tetrafluoro-
- Formula: C2F4
- Molecular weight: 100.0150
- IUPAC Standard InChIKey: BFKJFAAPBSQJPD-UHFFFAOYSA-N
- CAS Registry Number: 116-14-3
- 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: Ethylene, tetrafluoro-; Perfluoroethene; Perfluoroethylene; Tetrafluoroethene; Tetrafluoroethylene; TFE; C2F4; Fluoroplast 4; Tetrafluorethylene; 1,1,2,2-Tetrafluoroethylene; Tetrafluorethene; Ethene, 1,1,2,2-tetrafluoro-
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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, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -658.56 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1969 |
ΔfH°gas | -661. ± 3. | kJ/mol | Cm | Kolesov, Zenkov, et al., 1962 | Reanalyzed by Cox and Pilcher, 1970, Original value = -636. ± 3. kJ/mol; ALS |
ΔfH°gas | -661. ± 3. | kJ/mol | Chyd | Neugebauer and Margrave, 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -635.5 ± 4.6 kJ/mol; ALS |
ΔfH°gas | -686. | kJ/mol | Ccb | Wartenberg and Schiefer, 1955 | ALS |
ΔfH°gas | -678. ± 4. | kJ/mol | Cm | Kirkbride and Davidson, 1954 | Von Wartenberg method; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 300.01 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1969 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1100. | 1100. to 6000. |
---|---|---|
A | 43.55126 | 129.9776 |
B | 175.9079 | 1.690918 |
C | -138.7331 | -0.340087 |
D | 40.35619 | 0.023448 |
E | -0.381260 | -10.83204 |
F | -679.4983 | -725.3048 |
G | 303.9350 | 417.1829 |
H | -658.5616 | -658.5616 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
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 |
---|---|---|---|---|---|
S°liquid | 184.23 | J/mol*K | N/A | Furukawa, McCoskey, et al., 1953 |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
112.77 | 200. | Furukawa, McCoskey, et al., 1953 | T = 6 to 210 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 |
---|---|---|---|---|---|
Tboil | 196.8 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 199. | K | N/A | Lazerte, Hals, et al., 1953 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 196.7 | K | N/A | Ruff and Bretschneider, 1933 | Uncertainty assigned by TRC = 0.5 K; not clear whether directly measured or extrapolated; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 130.65 | K | N/A | Ruff and Bretschneider, 1933 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 142.00 | K | N/A | Furukawa, McCoskey, et al., 1953 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 307.4 | K | N/A | Lebedeva and Khodeeva, 1967 | TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 5.842 | mol/l | N/A | Lebedeva and Khodeeva, 1967 | Method as Lebedeva and Khodeeva Russ.J.Phys.Chem. 1961,35,1 sample stabilised with trimethylamine; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
16.821 | 197.53 | N/A | Furukawa, McCoskey, et al., 1953 | P = 101.325 kPa; DH |
16.8 | 258. | A | Stephenson and Malanowski, 1987 | Based on data from 197. to 273. K.; AC |
16.6 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 306. K.; AC |
18.6 | 193. | A | Stephenson and Malanowski, 1987 | Based on data from 142. to 208. K. See also Furukawa, Mccoskey, et al., 1953 and Boublik, Fried, et al., 1984.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
85.16 | 197.53 | Furukawa, McCoskey, et al., 1953 | 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 |
---|---|---|---|---|---|
141.99 to 208.40 | 4.02877 | 686.188 | -26.945 | Furukawa, McCoskey, et al., 1953 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.7145 | 142.00 | Furukawa, McCoskey, et al., 1953 | DH |
7.71 | 142. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
54.33 | 142.00 | Furukawa, McCoskey, et al., 1953 | DH |
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
MS - José A. Martinho Simões
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
+ = C2ClF4-
By formula: Cl- + C2F4 = C2ClF4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >41.84 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; Entropy estimated. The experimental HOF of C2F4 has been quiestioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.7 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; Entropy estimated. The experimental HOF of C2F4 has been quiestioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B |
+ = C2BrF4-
By formula: Br- + C2F4 = C2BrF4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.7 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; The experimental HOF of C2F4 has been questioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.7 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; The experimental HOF of C2F4 has been questioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B |
C7CrF4O5 (g) = (g) + C5CrO5 (g)
By formula: C7CrF4O5 (g) = C2F4 (g) + C5CrO5 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.4 ± 5.9 | kJ/mol | KinG | Wells, House, et al., 1994 | The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994.; MS |
By formula: C2ClF4- + 2C2F4 = C4ClF8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.6 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.7 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; B |
By formula: C4ClF8- + 3C2F4 = C6ClF12-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.4 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.7 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; B |
By formula: C6ClF12- + 4C2F4 = C8ClF16-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.1 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.2 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; B |
By formula: C2BrF4- + 2C2F4 = C4BrF8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.1 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.9 ± 2.1 | kJ/mol | TDAs | Hiraoka, Mochizuki, et al., 2008 | gas phase; B |
By formula: HBr + C2F4 = C2HBrF4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -137.75 ± 0.75 | kJ/mol | Cm | Lacher, Lea, et al., 1950 | gas phase; Heat of hydrobromination at 367°K; ALS |
By formula: C2F4I2 = C2F4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69. ± 2. | kJ/mol | Eqk | Wu, Pickard, et al., 1975 | gas phase; Spectrophotometery at 298.15°K; ALS |
By formula: C2F4 + Cl2 = C2Cl2F4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -239.84 ± 0.84 | kJ/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Chlorination at 90 C; ALS |
By formula: C2F4 + 2H2 = 2C + 4HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -618.4 ± 4.6 | kJ/mol | Chyd | Neugebauer and Margrave, 1956 | gas phase; ALS |
By formula: C2F4 + Br2 = C2Br2F4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -161.0 | kJ/mol | Cm | Lacher, Casali, et al., 1956 | gas phase; Heat of bromination; ALS |
By formula: C2F4 + 4Na = 4FNa + 2C
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1611. ± 4.6 | kJ/mol | Cm | Kolesov, Zenkov, et al., 1962 | gas phase; ALS |
By formula: 2CHClF2 = C2F4 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 121.6 | kJ/mol | Kin | Edwards and Small, 1965 | gas phase; Corrected for CODATA value of ΔfH; ALS |
By formula: 2C2F4 = C4F8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -210. | kJ/mol | Eqk | Atkinson and Trenwith, 1953 | gas phase; At 527-800 °K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1037.3 | kJ/mol | Ccb | Domalski and Armstrong, 1967 | solid phase; ALS |
By formula: C2Br2F4 = C2F4 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 160.99 | kJ/mol | Cm | Lacher, Casali, et al., 1956 | 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 |
---|---|---|---|---|
0.0016 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0016 | 2100. | L | N/A |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Kolesov, Zenkov, et al., 1962
Kolesov, V.P.; Zenkov, I.D.; Skuratov, S.M.,
The standard enthalpy of formation of tetrafluoroethylene,
Russ. J. Phys. Chem. (Engl. Transl.), 1962, 36, 45-47. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Neugebauer and Margrave, 1956
Neugebauer, C.A.; Margrave, J.L.,
The heats of formation of tetrafluoroethylene, tetrafluoromethane and 1,1-difluoroethylene,
J. Phys. Chem., 1956, 60, 1318-1321. [all data]
Wartenberg and Schiefer, 1955
Wartenberg, H.V.; Schiefer, J.,
Bildungswarmen von fluor-chlor-kohlenstoff-verbindungen,
Z. Anorg. Chem., 1955, 278, 326-332. [all data]
Kirkbride and Davidson, 1954
Kirkbride, F.W.; Davidson, F.G.,
Heats of formation of gaseous fluoro- and fluorochloro-carbons,
Nature (London), 1954, 174, 79-80. [all data]
Furukawa, McCoskey, et al., 1953
Furukawa, G.T.; McCoskey, R.E.; Reilly, M.L.,
Heat capacity, heats of fusion and vaporization, and vapor pressure of tetrafluoroethylene,
J. Res., 1953, NBS 51, 69-72. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Lazerte, Hals, et al., 1953
Lazerte, J.D.; Hals, L.J.; Ried, T.S.; Smith, G.H.,
Pyrolyses of the Salts of the Perfluoro Carboxylic Acids,
J. Am. Chem. Soc., 1953, 75, 4525. [all data]
Ruff and Bretschneider, 1933
Ruff, O.; Bretschneider, O.,
The Preparation of Hexafluoroethane and Tetrafluoroethene from Tetrafluoromethane,
Z. Anorg. Allg. Chem., 1933, 210, 173. [all data]
Lebedeva and Khodeeva, 1967
Lebedeva, E.S.; Khodeeva, S.M.,
Liquid-Liquid-Gas Equilibrium in the System Tetrafluoroethylene-methanol,
Zh. Fiz. Khim., 1967, 41, 2081-3. [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]
Furukawa, Mccoskey, et al., 1953
Furukawa, G.T.; Mccoskey, R.E.; Reilly, M.L.,
Heat capacity, heats of fusion and vaporization, and vapor pressure of tetrafluoroethylene,
J. RES. NATL. BUR. STAN., 1953, 51, 2, 69, https://doi.org/10.6028/jres.051.007
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Hiraoka, Mochizuki, et al., 2008
Hiraoka, K.; Mochizuki, N.; Wada, A.; Okada, H.; Ichikawa, T.; Asakawa, D.; Yazawa, I.,
Gas-phase ion/molecule reactions in C2F4,
Int. J. Mass Spectrom., 2008, 272, 1, 22-28, https://doi.org/10.1016/j.ijms.2007.12.013
. [all data]
Curtiss, Raghavachari, et al., 7374
Curtiss, L.A.; Raghavachari, K.; Redfern, P.C.; Pople, J.A.,
Assesment of Gaussian-3 and density Functional Theories for a larger experimental test set, J. Chem. Phys. 112 (2000), 7374. [all data]
Wells, House, et al., 1994
Wells, J.R.; House, P.G.; Weitz, E.,
J. Phys. Chem., 1994, 98, 8343. [all data]
Lacher, Lea, et al., 1950
Lacher, J.R.; Lea, K.R.; Walden, C.H.; Olson, G.G.; Park, J.D.,
Reaction heats of organic fluorine compounds. III. The vapor phase heats of hydrobromination of some simple fluoroolefins,
J. Am. Chem. Soc., 1950, 72, 3231-3234. [all data]
Wu, Pickard, et al., 1975
Wu, E.C.; Pickard, J.M.; Rodgers, A.S.,
Thermochemistry of the gas-phase reaction tetrafluoroethylene + iodine = 1,2-diiodoperfluoroethane. Heat of formation of 1,2-diiodoperfluoroethane and of iodoperfluoroethane,
J. Phys. Chem., 1975, 79, 1078-1081. [all data]
Lacher, McKinley, et al., 1949
Lacher, J.R.; McKinley, J.J.; Snow, C.M.; Michel, L.; Nelson, G.; Park, J.D.,
Reaction heats of organic fluorine compounds. I. Apparatus and the heat of chlorination of tetrafluoroethylene,
J. Am. Chem. Soc., 1949, 71, 1330-1334. [all data]
Lacher, Casali, et al., 1956
Lacher, J.R.; Casali, L.; Park, J.D.,
Reaction heats of organic halogen compounds V. The vapor phase bromination of tetrafluoroethylene and trifluorochloroethylene,
J. Phys. Chem., 1956, 60, 608-610. [all data]
Edwards and Small, 1965
Edwards, J.W.; Small, P.A.,
Kinetics of the pyrolysis of chlorodifluoromethane,
Ind. Eng. Chem. Fundam., 1965, 4, 396-400. [all data]
Atkinson and Trenwith, 1953
Atkinson, B.; Trenwith, A.B.,
424. The thermal decomposition of tetrafluorethylene,
J. Chem. Soc. London, 1953, 2082-2087. [all data]
Domalski and Armstrong, 1967
Domalski, E.S.; Armstrong, G.T.,
The heats of combustion of polytetrafluoroethylene (teflon) and graphite in elemental fluorine,
J. Res. NBS, 1967, 71, 105-118. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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 ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions 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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