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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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔcH°liquid | -1519.89 | kJ/mol | Ccb | Price and Sapiano, 1979 | ALS |
ΔcH°liquid | -2222.3 | kJ/mol | Ccb | Krech, Price, et al., 1973 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 143.97 | J/mol*K | N/A | Smith and Pace, 1969 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
80.08 | 145. | Smith and Pace, 1969 | T = 12 to 145 K. See also 69SMI/PAC.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 145.1 ± 0.2 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 89. | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tfus | 89.5 | K | N/A | Thorp and Scott, 1956 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 86.85 | K | N/A | Ruff and Keim, 1930 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 89.4 ± 0.8 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 227.5 | K | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 227.5 | K | N/A | Chari, 1960 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 37.45 | bar | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.10 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.142 | l/mol | N/A | Terry, Lynch, et al., 1969 | Uncertainty assigned by TRC = 800. l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 7.155 | mol/l | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.01 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.814 | 145.12 | N/A | Smith and Pace, 1969 | P = 101.325 kPa.; DH |
12.1 | 212. | A | Stephenson and Malanowski, 1987 | Based on data from 195. to 227. K.; AC |
12.3 | 148. | A | Stephenson and Malanowski, 1987 | Based on data from 89. to 163. K.; AC |
11.9 | 182. | A | Stephenson and Malanowski, 1987 | Based on data from 160. to 197. K.; AC |
12.4 | 131. | N/A | Smith and Pace, 1969 | Based on data from 116. to 146. K.; AC |
12.8 | 131. | N/A | Menzel and Mohry, 1933 | Based on data from 93. to 146. K. See also Stephenson and Malanowski, 1987.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
81.41 | 145.12 | Smith and Pace, 1969 | 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 |
---|---|---|---|---|---|
121.59 to 135.39 | 3.32027 | 376.716 | -31.901 | Regnier, 1972 | Coefficents calculated by NIST from author's data. |
89.71 to 101.46 | 0.63481 | 103.578 | -61.461 | Smith and Pace, 1969 | Coefficents calculated by NIST from author's data. |
92.51 to 145.87 | 4.1682 | 556.616 | -11.43 | Menzel and Mohry, 1933 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.7 | 88. | N/A | Simon, Knobler, et al., 1967 | Based on data from 86. to 89. K.; AC |
17.0 | 76. | N/A | Bondi, 1963 | AC |
14.0 | 83. | A | Menzel and Mohry, 1933 | Based on data from 80. to 86. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.71 | 89.56 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.43 | 76.27 | Domalski and Hearing, 1996 | CAL |
7.95 | 89.56 | ||
21.4 | 76.1 | ||
7.7 | 88.4 | ||
19.2 | 76.1 | ||
7.9 | 89.5 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.4623 | 76.09 | crystaline, II | crystaline, I | Enokida, Shinoda, et al., 1969 | DH |
0.7054 | 89.529 | crystaline, I | liquid | Enokida, Shinoda, et al., 1969 | DH |
1.7092 | 76.27 | crystaline, II | crystaline, I | Smith and Pace, 1969 | DH |
0.7121 | 89.56 | crystaline, I | liquid | Smith and Pace, 1969 | DH |
1.7343 | 76.09 | crystaline, II | crystaline, I | Kostryukov, Samorukov, et al., 1958 | DH |
0.69371 | 88.44 | crystaline, I | liquid | Kostryukov, Samorukov, et al., 1958 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
19.20 | 76.09 | crystaline, II | crystaline, I | Enokida, Shinoda, et al., 1969 | DH |
7.87 | 89.529 | crystaline, I | liquid | Enokida, Shinoda, et al., 1969 | DH |
22.41 | 76.27 | crystaline, II | crystaline, I | Smith and Pace, 1969 | DH |
7.95 | 89.56 | crystaline, I | liquid | Smith and Pace, 1969 | DH |
21.38 | 76.09 | crystaline, II | crystaline, I | Kostryukov, Samorukov, et al., 1958 | DH |
7.74 | 88.44 | crystaline, I | liquid | Kostryukov, Samorukov, et al., 1958 | DH |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 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 | 701 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Price and Sapiano, 1979
Price, S.J.W.; Sapiano, H.J.,
Determination of ΔH°f298(C6F10,g) and ΔH°f298(C6F12,g) from studies of the combustion of decafluorocyclohexene and dodecafluorocylohexene in oxygen and calculation of the resonance energy of hexafluorobenzene,
Can. J. Chem., 1979, 58, 685-688. [all data]
Krech, Price, et al., 1973
Krech, M.J.; Price, S.J.W.; Yared, W.F.,
Determination of the heat of formation of octafluorotoluene and calculation of D[C6F5-F] - D[C6F5-CF3],
Can. J. Chem., 1973, 51, 3662-3664. [all data]
Smith and Pace, 1969
Smith, J.H.; Pace, E.L.,
The thermodynamic properties of carbon tetrafluoride from 12°K to its boiling point. The significance of the parameter {nu},
J. Phys. Chem., 1969, 73, 4232-4236. [all data]
Streng, 1971
Streng, A.G.,
Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature,
J. Chem. Eng. Data, 1971, 16, 357. [all data]
Thorp and Scott, 1956
Thorp, N.; Scott, R.L.,
Fluorocarbon solutions at low termperatures. I. The liquid mixtures CF4-CHF3, CF4-CH4, CF4-Kr, CH4-Kr.,
J. Phys. Chem., 1956, 60, 670. [all data]
Ruff and Keim, 1930
Ruff, O.; Keim, R.,
The reaction products of carbon with fluorine: I. Tetrafluoromethane.,
Z. Anorg. Allg. Chem., 1930, 192, 249. [all data]
Altunin, Geller, et al., 1987
Altunin, V.V.; Geller, V.Z.; Kremenvskaya, E.A.; Perel'shtein, I.I.; Petrov, E.K.,
Thermophysical Properties of Freons, Methane Ser. Part 2, Vol. 9, NSRDS-USSR, Selover, T. B., Ed., Hemisphere, New York, 1987. [all data]
Chari, 1960
Chari, N.C.,
Thermodynamic Properties of Carbon Tetrafluoride., Ph.D. Dissertation, Univ. Mich., Ann Arbour, MI, 1960. [all data]
Terry, Lynch, et al., 1969
Terry, M.J.; Lynch, J.T.; Bunclark, M.; Mansell, K.R.; Staveley, L.A.K.,
The Densities of Liquid Argon, Krypton, Xenon, Oxygen, Nitrogen, Carbon Monoxide, Methane and Carbon Tetrafluoride Along the Orthobaric Liquid Curve,
J. Chem. Thermodyn., 1969, 1, 413. [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]
Menzel and Mohry, 1933
Menzel, Walter; Mohry, Friedrich,
Die Dampfdrucke des CF4 und NF3 und der Tripelpunkt des CF4,
Z. Anorg. Allg. Chem., 1933, 210, 3, 257-263, https://doi.org/10.1002/zaac.19332100305
. [all data]
Regnier, 1972
Regnier, J.,
Tension de Vapeur de L'Ethane Entre 80 et 135 K,
J. Chim. Phys., 1972, 69, 942-944. [all data]
Simon, Knobler, et al., 1967
Simon, M.; Knobler, C.M.; Duncan, A.G.,
The vapour pressure of tetrafluoromethane from 86 to 146° K,
Cryogenics, 1967, 7, 1-4, 138-140, https://doi.org/10.1016/S0011-2275(67)80053-5
. [all data]
Bondi, 1963
Bondi, A.,
Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments.,
J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027
. [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]
Enokida, Shinoda, et al., 1969
Enokida, H.; Shinoda, T.; Mashiko, Y.,
Thermodynamic properties of carbon tetrafluoride from 40°K to its melting point,
Bull. Chem. Soc. Japan, 1969, 42, 3415-3421. [all data]
Kostryukov, Samorukov, et al., 1958
Kostryukov, V.N.; Samorukov, O.P.; Strelkov, P.G.,
Thermodynamic studies at low temperatures VII. Phase transitions in solid BF3, CF4 and SiF4,
Zhur. Fiz. Khim., 1958, 32, 1354-1361. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation 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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