Tetrafluoromethane
- Formula: CF4
- Molecular weight: 88.0043
- IUPAC Standard InChIKey: TXEYQDLBPFQVAA-UHFFFAOYSA-N
- CAS Registry Number: 75-73-0
- 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: Carbon tetrafluoride; Methane, tetrafluoro-; Arcton 0; Carbon fluoride (CF4); Freon 14; FC 14; Perfluoromethane; CF4; Halon 14; Carbon fluoride; F 14; Halocarbon 14; R 14; UN 1982; Refrigerant 14; CFC 14; R 14 (Refrigerant); Refrigerant R 14; Methane, tetrafluo-
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -930. ± 20. | kJ/mol | AVG | N/A | Average of 12 out of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 261.41 | 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 1000. | 1000. to 6000. |
---|---|---|
A | 15.96778 | 106.2221 |
B | 210.3318 | 1.076122 |
C | -189.4657 | -0.223192 |
D | 62.20227 | 0.015753 |
E | -0.217317 | -8.340679 |
F | -946.4877 | -987.7755 |
G | 224.6766 | 355.9764 |
H | -933.1994 | -933.1994 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | ≤14.7 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 529.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 503.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
16.2 ± 0.1 | EI | Kime, Driscoll, et al., 1987 | LBLHLM |
15.3 | PE | Novak, Potts, et al., 1985 | LBLHLM |
16.2 | PE | Carlson, Fahlman, et al., 1984 | LBLHLM |
≤14.7 | EVAL | Rosenstock, Draxl, et al., 1977 | LLK |
16.5 | PE | Lloyd and Roberts, 1975 | LLK |
15.7 | PE | Lloyd and Roberts, 1975 | LLK |
16.2 | PE | Bieri, Asbrink, et al., 1981 | Vertical value; LLK |
16.26 | PE | Uehara, Saito, et al., 1973 | Vertical value; LLK |
16.25 ± 0.04 | PE | Jonas, Schweitzer, et al., 1973 | Vertical value; LLK |
16.20 | EI | Harshbarger, Robin, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 31.5 ± 0.5 | ? | EI | Dibeler, Reese, et al., 1956 | RDSH |
CF+ | 22.6 ± 0.5 | ? | EI | Dibeler, Reese, et al., 1956 | RDSH |
CF2+ | 20.3 ± 0.5 | ? | EI | Dibeler, Reese, et al., 1956 | RDSH |
CF3+ | 14.24 ± 0.07 | F | END | Fischer and Armentrout, 1990 | LL |
CF3+ | 14.2 ± 0.1 | F | DER | Tichy, Javahery, et al., 1987 | LBLHLM |
CF3+ | 14.7 ± 0.3 | F | PI | Powis, 1980 | LLK |
CF3+ | 14.9 ± 0.1 | F | PIPECO | Simm, Danby, et al., 1975 | LLK |
CF3+ | ≤14.84 ± 0.05 | F | PIPECO | Brehm, Frey, et al., 1974 | LLK |
CF3+ | ≤15.35 | F | PI | Walter, Lifshitz, et al., 1969 | RDSH |
CF3+ | 15.52 ± 0.02 | F | PI | Noutary, 1968 | RDSH |
CF3+ | 15.56 ± 0.01 | F | PI | Cook and Ching, 1965 | RDSH |
F+ | 24.0 ± 1.0 | ? | EI | Bibby, Toubelis, et al., 1965 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase 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 by: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 909 | B | ia | 908.5 S | gas | |||
e | 2 | Deg deform | 435 | B | ia | 435.0 S | gas | |||
f2 | 3 | Deg str | 1281 | D | ? | gas | ? | gas | FR(2ν4) | |
f2 | 4 | Deg deform | 632 | B | 631.73 VS | gas | 631.2 S | gas | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
ia | Inactive |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
B | 1~3 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Porapack Q | 82. | Zenkevich and Rodin, 2004 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, 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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A.,
The stability of the carbon tetrahalide ions,
J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]
Novak, Potts, et al., 1985
Novak, I.; Potts, A.W.; Quinn, F.; Marr, G.V.; Dobson, B.; Hillier, I.H.; West, J.B.,
Photoelectron asymmetry measurements for CHF3 and CF4 in the photon energy range 19 to 80 eV,
J. Phys. B:, 1985, 18, 1581. [all data]
Carlson, Fahlman, et al., 1984
Carlson, T.A.; Fahlman, A.; Svensson, W.A.; Krause, M.O.; Whitley, T.A.; Grimm, F.A.; Piancastelli, M.N.; Taylor, J.W.,
Angle-resolved photoelectron cross section of CF4,
J. Chem. Phys., 1984, 81, 3828. [all data]
Rosenstock, Draxl, et al., 1977
Rosenstock, H.M.; Draxl, K.; Steiner, B.W.; Herron, J.T.,
Energetics of gaseous ions,
J. Phys. Chem. Ref. Data, 1977, 6. [all data]
Lloyd and Roberts, 1975
Lloyd, D.R.; Roberts, P.J.,
Photoelectron spectra of halides. VII. Variable temperature He(I) and He(II) studies of CF4, SiF4, and GeF4,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 325. [all data]
Bieri, Asbrink, et al., 1981
Bieri, G.; Asbrink, L.; Von Niessen, W.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part IV. Fluoro-compounds (C,H,F),
J. Electron Spectrosc. Relat. Phenom., 1981, 23, 281. [all data]
Uehara, Saito, et al., 1973
Uehara, Y.; Saito, N.; Yonezawa, T.,
Ionization potentials of trifluoromethyl and methyl halides by photoelectron spectroscopy and calculations by extended Hucket and CNDO/2 methods,
Chem. Lett., 1973, 495. [all data]
Jonas, Schweitzer, et al., 1973
Jonas, A.E.; Schweitzer, G.K.; Grimm, F.A.; Carlson, T.A.,
The photoelectron spectra of the tetrafluoro and tetramethyl compounds of the group IV elements,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 29. [all data]
Harshbarger, Robin, et al., 1973
Harshbarger, W.R.; Robin, M.B.; Lassettre, E.N.,
The electron impact spectra of the fluoromethanes,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 319. [all data]
Dibeler, Reese, et al., 1956
Dibeler, V.H.; Reese, R.M.; Mohler, F.L.,
Ionization and dissociation of the trifluoromethyl halides by electron impact,
J. Res. NBS, 1956, 57, 113. [all data]
Fischer and Armentrout, 1990
Fischer, E.R.; Armentrout, P.B.,
The appearance energy of CF3+ from CF4: Ion/molecule reactions related to the thermochemistry of CF3+.,
Int. J. Mass Spectrom. Ion Processes, 1990, 101, 1. [all data]
Tichy, Javahery, et al., 1987
Tichy, M.; Javahery, G.; Twiddy, N.D.; Ferguson, E.E.,
The thermal energy reactions HCl+ + SF6 Ü SF5+ + HF + Cl and HCl+ + CF4 Ü CF3+ + HF + Cl,
Int. J. Mass Spectrom. Ion Processes, 1987, 79, 231. [all data]
Powis, 1980
Powis, I.,
The dissociation of state-selected CF3X+ molecular ions,
Mol. Phys., 1980, 39, 311. [all data]
Simm, Danby, et al., 1975
Simm, I.G.; Danby, C.J.; Eland, J.H.D.; Mansell, P.I.,
Translational energy release in the loss of fluorine atoms from the ions SF6+, CF4+ and C2F6+,
J. Chem. Soc., 1975, 426. [all data]
Brehm, Frey, et al., 1974
Brehm, B.; Frey, R.; Kustler, A.; Eland, J.H.D.,
Kinetic energy release in ion fragmentation: N2O+, COS+ and CF4+ decays,
Int. J. Mass Spectrom. Ion Processes, 1974, 79, 251. [all data]
Walter, Lifshitz, et al., 1969
Walter, T.A.; Lifshitz, C.; Chupka, W.A.; Berkowitz, J.,
Mass-spectrometric study of the photoionization of C2F4 and CF4,
J. Chem. Phys., 1969, 51, 3531. [all data]
Noutary, 1968
Noutary, C.J.,
Mass spectrometric study of some fluorocarbons and trifluoromethyl halides,
J.Res. NBS, 1968, 72A, 479. [all data]
Cook and Ching, 1965
Cook, G.R.; Ching, B.K.,
Photoionization and absorption cross sections and fluorescence of CF4,
J. Chem. Phys., 1965, 43, 1794. [all data]
Bibby, Toubelis, et al., 1965
Bibby, M.M.; Toubelis, B.J.; Carter, G.,
Ionization and dissociation in CF4,
Electron. Letters, 1965, 1, 50. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A.,
Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices,
J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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