fluorine
- Formula: F2
- Molecular weight: 37.9968064
- IUPAC Standard InChIKey: PXGOKWXKJXAPGV-UHFFFAOYSA-N
- CAS Registry Number: 7782-41-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°gas,1 bar | 48.468 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 48.470 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 6000. |
---|---|
A | 7.515560 |
B | 2.010954 |
C | -0.664161 |
D | 0.052128 |
E | -0.050472 |
F | -2.493452 |
G | 56.71056 |
H | 0.000000 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1982 |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 85.2 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 55.2 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 144. | K | N/A | Cady and Hildebrand, 1930 | Uncertainty assigned by TRC = 1. K; in glass capillary tube; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
53.99 to 143.99 | 4.01784 | 322.067 | -4.748 | Straty and Prydz, 1970 | Coefficents calculated by NIST from author's data. |
50. to 85.3 | 4.61744 | 417.961 | 5.415 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess
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: 2C2F11N5 = 4CF4 + 5N2 + 3F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -719.2 ± 3.2 | kcal/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
CF5N = + 0.5 + 0.5
By formula: CF5N = CF4 + 0.5N2 + 0.5F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -54.0 ± 0.4 | kcal/mol | Ccb | Walker, 1972 | gas phase; Decompostion reaction; ALS |
+ 0.5 + 0.5 = CF5N
By formula: CF4 + 0.5N2 + 0.5F2 = CF5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.0 ± 0.4 | kcal/mol | Ccb | Walker, 1972 | gas phase; Decompostion reaction; ALS |
By formula: 2CF7N3 = 2CF4 + 3N2 + 3F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -350.6 | kcal/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
By formula: 2CF5N3 = 2CF4 + 3N2 + F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -492.0 | kcal/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
By formula: CF8N4 = CF4 + 2N2 + 2F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -223.5 | kcal/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
By formula: CF6N2 = CF4 + N2 + F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -114.3 | kcal/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
+ = F3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.3 ± 2.5 | kcal/mol | CIDT | Artau, Nizzi, et al., 2000 | gas phase; B |
By formula: CF4 + 4HF = CH4 + 4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -459.3 ± 3.0 | kcal/mol | Cm | Jessup, McCoskey, et al., 1955 | gas phase; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -247.92 | kcal/mol | Ccb | Domalski and Armstrong, 1967 | solid 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:
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess
View reactions leading to F2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 15.697 ± 0.003 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 79.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 73.02 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
3.005 ± 0.071 | R-A | Wenthold and Squires, 1995 | EA fixed at 0K value, not 298K of heat of formation; B |
3.120 ± 0.070 | CIDC | Artau, Nizzi, et al., 2000 | B |
3.07998 | ECD | Ayala, Wentworth, et al., 1981 | Vertical Detachment Energy: 1.24 eV; B |
2.94 ± 0.20 | EIAE | Harland and Franklin, 1974 | From NF3; B |
2.90 ± 0.22 | EIAE | DeCorpo and Franklin, 1971 | From BF3; B |
3.16558 | EIAE | Wang and Franklin, 1980 | From SO2F2; B |
>2.80 ± 0.30 | EIAE | Thynne, 1972 | From CF2O; B |
3.08 ± 0.10 | Endo | Chupka, Berkowitz, et al., 1971 | B |
>2.99997 | EIAE | Reese, Dibeter, et al., 1958 | From SO2F2; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
15.697 ± 0.003 | PE | Van Lonkhuyzen and De Lange, 1984 | LBLHLM |
15.70 | PE | Bieri, Schmelzer, et al., 1980 | LLK |
15.694 | TE | Guyon, Spohr, et al., 1976 | LLK |
15.70 ± 0.02 | S | Gole and Margrave, 1972 | LLK |
15.70 ± 0.01 | PE | Potts and Price, 1971 | LLK |
15.70 | PE | Cornford, Frost, et al., 1971 | LLK |
15.74 | PE | Cornford, Frost, et al., 1971 | LLK |
15.686 ± 0.006 | PI | Berkowitz, Chupka, et al., 1971 | LLK |
15.70 | PE | Anderson, Mamantov, et al., 1971 | LLK |
15.69 ± 0.01 | PI | Dibeler, Walker, et al., 1969 | RDSH |
15.7 | S | Iczkowski and Margrave, 1959 | RDSH |
15.70 | PE | Dyke, Josland, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
F+ | 15.2 | F- | EI | Veljkovic, Neskovic, et al., 1992 | LL |
F+ | 19.008 | F | PI | Berkowitz and Wahl, 1973 | LLK |
F+ | 15.6 | F- | PI | Berkowitz, Chupka, et al., 1971 | LLK |
F+ | 19.008 | F | PI | Berkowitz, Chupka, et al., 1971, 2 | LLK |
F+ | 15.48 | F- | PI | Dibeler, Walker, et al., 1969 | RDSH |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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: John E. Bartmess
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
+ = F3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.3 ± 2.5 | kcal/mol | CIDT | Artau, Nizzi, et al., 2000 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
Cady and Hildebrand, 1930
Cady, G.H.; Hildebrand, J.H.,
The Vapor Pressure and Critical Temperature of Fluorine,
J. Am. Chem. Soc., 1930, 52, 3839. [all data]
Straty and Prydz, 1970
Straty, G.C.; Prydz, R.,
The Vapor Pressure of Liquid Fluorine,
Adv. Cryog. Eng., 1970, 15, 36-41. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Sinke, Thompson, et al., 1967
Sinke, G.C.; Thompson, C.J.; Jostad, R.E.; Walker, L.C.; Swanson, A.C.; Stull, D.R.,
Enthalpies of formation and bond energies of some fluoramines,
J. Chem. Phys., 1967, 47, 1852-1854. [all data]
Walker, 1972
Walker, L.C.,
The enthalpy of decomposition of CF3NF2(g) to CF4(g), N2(g), and F2(g),
J. Chem. Thermodyn., 1972, 4, 219-223. [all data]
Artau, Nizzi, et al., 2000
Artau, A.; Nizzi, K.E.; Hill, B.T.; Sunderlin, L.S.; Wenthold, P.G.,
Bond dissociation energy in trifluoride ion,
J. Am. Chem. Soc., 2000, 122, 43, 10667-10670, https://doi.org/10.1021/ja001613e
. [all data]
Jessup, McCoskey, et al., 1955
Jessup, R.S.; McCoskey, R.E.; Nelson, R.A.,
The heat of formation of tetrafluoromethane,
J. Am. Chem. Soc., 1955, 77, 244-245. [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]
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]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034
. [all data]
Ayala, Wentworth, et al., 1981
Ayala, J.A.; Wentworth, W.E.; Chen, E.C.M.,
Electron attachment to halogens,
J. Phys. Chem., 1981, 85, 768. [all data]
Harland and Franklin, 1974
Harland, P.W.; Franklin, J.L.,
Partitioning of excess energy in dissociative resonance capture processes,
J. Chem. Phys., 1974, 61, 1621. [all data]
DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L.,
Electron affinities of the halogen molecules by dissociative electron attachment,
J. Chem. Phys., 1971, 54, 1885. [all data]
Wang and Franklin, 1980
Wang, J.-S.; Franklin, J.L.,
Reactions and energy distributions in dissociative electron capture processes in sulfuryl halides,
Int. J. Mass Spectrom. Ion Phys., 1980, 36, 233. [all data]
Thynne, 1972
Thynne, J.C.J.,
Negative Ion Studies with a Time-of-Flight Mass Spectrometer.,
Dyn. Mass Spectrom., 1972, 3, 67. [all data]
Chupka, Berkowitz, et al., 1971
Chupka, W.A.; Berkowitz, J.; Gutman, D.,
Electron Affinities of Halogen Diatomic Molecules as Determined by Endoergic Charge Exchange,
J. Chem. Phys., 1971, 55, 6, 2724, https://doi.org/10.1063/1.1676487
. [all data]
Reese, Dibeter, et al., 1958
Reese, R.M.; Dibeter, V.H.; Franklin, J.L.,
Electron impact studies of sulfur dioxide and sulfuryl fluoride,
J. Chem. Phys., 1958, 29, 880. [all data]
Van Lonkhuyzen and De Lange, 1984
Van Lonkhuyzen, H.; De Lange, C.A.,
High-resolution UV photoelectron spectroscopy of diatomic halogens,
Chem. Phys., 1984, 89, 313. [all data]
Bieri, Schmelzer, et al., 1980
Bieri, G.; Schmelzer, A.; Asbrink, L.; Jonsson, M.,
Fluorine and the fluoroderivatives of acetylene and diacetylene studied by 30.4 nm He(II) photoelectron spectroscopy,
Chem. Phys., 1980, 49, 213. [all data]
Guyon, Spohr, et al., 1976
Guyon, P.-M.; Spohr, R.; Chupka, W.A.; Berkowitz, J.,
Threshold photoelectron spectra of HF, DF, F2,
J. Chem. Phys., 1976, 65, 1650. [all data]
Gole and Margrave, 1972
Gole, J.L.; Margrave, J.L.,
The vacuum ultraviolet spectrum of molecular fluorine,
J. Mol. Spectrosc., 1972, 43, 65. [all data]
Potts and Price, 1971
Potts, A.W.; Price, W.C.,
Photoelectron spectra of the halogens and mixed halides ICI and lBr,
J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]
Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; McDowell, C.A.; Ragle, J.L.; Stenhouse, I.A.,
Photoelectron spectra of the halogens,
J. Chem. Phys., 1971, 54, 2651. [all data]
Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Guyon, P.M.; Holloway, J.H.; Spohr, R.,
Photoionization mass spectrometric study of F2, HF, and DF,
J. Chem. Phys., 1971, 54, 5165. [all data]
Anderson, Mamantov, et al., 1971
Anderson, C.P.; Mamantov, G.; Bull, W.E.; Grimm, F.A.; Carver, J.C.; Carlson, T.A.,
Photoelectron spectrum of chlorine monofluoride,
Chem. Phys. Lett., 1971, 12, 137. [all data]
Dibeler, Walker, et al., 1969
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.,
Dissociation energy of fluorine,
J. Chem. Phys., 1969, 50, 4592. [all data]
Iczkowski and Margrave, 1959
Iczkowski, R.P.; Margrave, J.L.,
Absorption spectrum of fluorine in the vacuum ultraviolet,
J. Chem. Phys., 1959, 30, 403. [all data]
Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M.,
Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations,
Chem. Phys., 1984, 91, 419. [all data]
Veljkovic, Neskovic, et al., 1992
Veljkovic, M.V.; Neskovic, O.M.; Zmbov, K.F.,
Mass spectrometric study of the thermal decomposition of F2,
J. Serb. Chem. Soc., 1992, 57, 753. [all data]
Berkowitz and Wahl, 1973
Berkowitz, J.; Wahl, A.C.,
The dissociation energy of fluorine,
Adv. Fluorine Chem., 1973, 7, 147. [all data]
Berkowitz, Chupka, et al., 1971, 2
Berkowitz, J.; Chupka, W.A.; Guyon, P.M.; Holloway, J.; Spohr, R.,
Photo-ionization studies of F2, HF, DF, and the xenon fluorides,
Advan. Mass Spectrom., 1971, 5, 112. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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