Ethene, tetrafluoro-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-658.56kJ/molReviewChase, 1998Data last reviewed in June, 1969
Δfgas-661. ± 3.kJ/molCmKolesov, Zenkov, et al., 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -636. ± 3. kJ/mol; ALS
Δfgas-661. ± 3.kJ/molChydNeugebauer and Margrave, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -635.5 ± 4.6 kJ/mol; ALS
Δfgas-686.kJ/molCcbWartenberg and Schiefer, 1955ALS
Δfgas-678. ± 4.kJ/molCmKirkbride and Davidson, 1954Von Wartenberg method; ALS
Quantity Value Units Method Reference Comment
gas,1 bar300.01J/mol*KReviewChase, 1998Data 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 43.55126129.9776
B 175.90791.690918
C -138.7331-0.340087
D 40.356190.023448
E -0.381260-10.83204
F -679.4983-725.3048
G 303.9350417.1829
H -658.5616-658.5616
ReferenceChase, 1998Chase, 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
liquid184.23J/mol*KN/AFurukawa, McCoskey, et al., 1953 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
112.77200.Furukawa, McCoskey, et al., 1953T = 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
Tboil196.8KN/APCR Inc., 1990BS
Tboil199.KN/ALazerte, Hals, et al., 1953Uncertainty assigned by TRC = 3. K; TRC
Tboil196.7KN/ARuff and Bretschneider, 1933Uncertainty assigned by TRC = 0.5 K; not clear whether directly measured or extrapolated; TRC
Quantity Value Units Method Reference Comment
Tfus130.65KN/ARuff and Bretschneider, 1933Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple142.00KN/AFurukawa, McCoskey, et al., 1953Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc307.4KN/ALebedeva and Khodeeva, 1967TRC
Quantity Value Units Method Reference Comment
ρc5.842mol/lN/ALebedeva and Khodeeva, 1967Method 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
16.821197.53N/AFurukawa, McCoskey, et al., 1953P = 101.325 kPa; DH
16.8258.AStephenson and Malanowski, 1987Based on data from 197. to 273. K.; AC
16.6288.AStephenson and Malanowski, 1987Based on data from 273. to 306. K.; AC
18.6193.AStephenson and Malanowski, 1987Based 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
85.16197.53Furukawa, McCoskey, et al., 1953P; 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 208.404.02877686.188-26.945Furukawa, McCoskey, et al., 1953Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.7145142.00Furukawa, McCoskey, et al., 1953DH
7.71142.Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
54.33142.00Furukawa, McCoskey, et al., 1953DH

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
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

Chlorine anion + Ethene, tetrafluoro- = C2ClF4-

By formula: Cl- + C2F4 = C2ClF4-

Quantity Value Units Method Reference Comment
Δr>41.84kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas 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
Δr10.7kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; Entropy estimated. The experimental HOF of C2F4 has been quiestioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B

Bromine anion + Ethene, tetrafluoro- = C2BrF4-

By formula: Br- + C2F4 = C2BrF4-

Quantity Value Units Method Reference Comment
Δr29.7 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas 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
Δr9.7 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; The experimental HOF of C2F4 has been questioned as being too positive: Curtiss, Raghavachari, et al., 7374, 11CHA/DEN; B

C7CrF4O5 (g) = Ethene, tetrafluoro- (g) + C5CrO5 (g)

By formula: C7CrF4O5 (g) = C2F4 (g) + C5CrO5 (g)

Quantity Value Units Method Reference Comment
Δr82.4 ± 5.9kJ/molKinGWells, House, et al., 1994The 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

C2ClF4- + 2Ethene, tetrafluoro- = C4ClF8-

By formula: C2ClF4- + 2C2F4 = C4ClF8-

Quantity Value Units Method Reference Comment
Δr27.6 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr7.7 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; B

C4ClF8- + 3Ethene, tetrafluoro- = C6ClF12-

By formula: C4ClF8- + 3C2F4 = C6ClF12-

Quantity Value Units Method Reference Comment
Δr26.4 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr2.7 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; B

C6ClF12- + 4Ethene, tetrafluoro- = C8ClF16-

By formula: C6ClF12- + 4C2F4 = C8ClF16-

Quantity Value Units Method Reference Comment
Δr25.1 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr0.2 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; B

C2BrF4- + 2Ethene, tetrafluoro- = C4BrF8-

By formula: C2BrF4- + 2C2F4 = C4BrF8-

Quantity Value Units Method Reference Comment
Δr25.1 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; B
Quantity Value Units Method Reference Comment
Δr3.9 ± 2.1kJ/molTDAsHiraoka, Mochizuki, et al., 2008gas phase; B

Hydrogen bromide + Ethene, tetrafluoro- = 1-Bromo-1,1,2,2-tetrafluoroethane

By formula: HBr + C2F4 = C2HBrF4

Quantity Value Units Method Reference Comment
Δr-137.75 ± 0.75kJ/molCmLacher, Lea, et al., 1950gas phase; Heat of hydrobromination at 367°K; ALS

1,2-Diiodotetrafluoroethane = Ethene, tetrafluoro- + Iodine

By formula: C2F4I2 = C2F4 + I2

Quantity Value Units Method Reference Comment
Δr69. ± 2.kJ/molEqkWu, Pickard, et al., 1975gas phase; Spectrophotometery at 298.15°K; ALS

Ethene, tetrafluoro- + Chlorine = Ethane, 1,2-dichloro-1,1,2,2-tetrafluoro-

By formula: C2F4 + Cl2 = C2Cl2F4

Quantity Value Units Method Reference Comment
Δr-239.84 ± 0.84kJ/molCmLacher, McKinley, et al., 1949gas phase; Chlorination at 90 C; ALS

Ethene, tetrafluoro- + 2Hydrogen = 2carbon + 4hydrogen fluoride

By formula: C2F4 + 2H2 = 2C + 4HF

Quantity Value Units Method Reference Comment
Δr-618.4 ± 4.6kJ/molChydNeugebauer and Margrave, 1956gas phase; ALS

Ethene, tetrafluoro- + Bromine = 1,2-Dibromotetrafluoroethane

By formula: C2F4 + Br2 = C2Br2F4

Quantity Value Units Method Reference Comment
Δr-161.0kJ/molCmLacher, Casali, et al., 1956gas phase; Heat of bromination; ALS

Ethene, tetrafluoro- + 4sodium = 4sodium fluoride + 2Carbon

By formula: C2F4 + 4Na = 4FNa + 2C

Quantity Value Units Method Reference Comment
Δr-1611. ± 4.6kJ/molCmKolesov, Zenkov, et al., 1962gas phase; ALS

2Difluorochloromethane = Ethene, tetrafluoro- + 2Hydrogen chloride

By formula: 2CHClF2 = C2F4 + 2HCl

Quantity Value Units Method Reference Comment
Δr121.6kJ/molKinEdwards and Small, 1965gas phase; Corrected for CODATA value of ΔfH; ALS

2Ethene, tetrafluoro- = Cyclobutane, octafluoro-

By formula: 2C2F4 = C4F8

Quantity Value Units Method Reference Comment
Δr-210.kJ/molEqkAtkinson and Trenwith, 1953gas phase; At 527-800 °K; ALS

Ethene, tetrafluoro- + 2fluorine = 2Tetrafluoromethane

By formula: C2F4 + 2F2 = 2CF4

Quantity Value Units Method Reference Comment
Δr-1037.3kJ/molCcbDomalski and Armstrong, 1967solid phase; ALS

1,2-Dibromotetrafluoroethane = Ethene, tetrafluoro- + Bromine

By formula: C2Br2F4 = C2F4 + Br2

Quantity Value Units Method Reference Comment
Δr160.99kJ/molCmLacher, Casali, et al., 1956gas phase; ALS

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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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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 19857

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Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   D2h     Symmetry Number σ = 4


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

ag 1 CC str 1872  C  ia 1872 M p gas
ag 2 CF2 s-str 778  C  ia 777.9 S p gas
ag 3 CF2 scis 394  C  ia 394 W p gas
au 4 CF2 twist 190  E  ia  ia CF
b1g 5 CF2 a-str 1340  D  ia 1340 VW gas
b1g 6 CF2 rock 551  D  ia 551 M liq.
b1u 7 CF2 wag 406  C 406 S gas  ia
b2g 8 CF2 wag 508  D  ia 508 S liq.
b2u 9 CF2 a-str 1337  C 1337 S gas  ia
b2u 10 CF2 rock 218  C 218 S gas  ia
b3u 11 CF2 s-str 1186  C 1186 S gas  ia
b3u 12 CF2 scis 558  C 558 S gas  ia

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
CFCalculated frequency
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References