hydrogen fluoride
- Formula: FH
- Molecular weight: 20.00634
- IUPAC Standard InChIKey: KRHYYFGTRYWZRS-UHFFFAOYSA-N
- CAS Registry Number: 7664-39-3
- 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, Reaction thermochemistry 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 |
---|---|---|---|---|---|
ΔfH°gas | -65.32 ± 0.17 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -65.141 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 41.5342 ± 0.0007 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 41.534 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
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 1000. | 1000. to 6000. |
---|---|---|
A | 7.198120 | 5.872450 |
B | -0.775959 | 1.647560 |
C | 0.685496 | -0.297293 |
D | 0.109444 | 0.019738 |
E | -0.005942 | -0.055942 |
F | -67.27801 | -66.86551 |
G | 50.41171 | 48.48291 |
H | -65.14011 | -65.14011 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 372. ± 1. | kcal/mol | AVG | N/A | Average of 6 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.67 ± 0.18 | kcal/mol | H-TS | Blondel, Delsart, et al., 2001 | gas phase; Given: 3.4011895(25) eV, or 27432.446(19) cm-1, or 78.433266(577) kcal/mol; B |
ΔrG° | 365.53 | kcal/mol | H-TS | Martin and Hepburn, 2000 | gas phase; Given: 371.334±0.003 kcal/mol (corr to 298K with data from Wagman, Evans, et al., 1982).H(0K)=370.422±0.003; B |
ΔrG° | 365.67 ± 0.18 | kcal/mol | H-TS | Blondel, Cacciani, et al., 1989 | gas phase; Reported: 3.401190±0.000004 eV. acidity includes 0.9 kcal 0 to 298 K correction.; B |
ΔrG° | 365.5 ± 2.0 | kcal/mol | IMRE | Bierbaum, Schmidt, et al., 1981 | gas phase; B |
ΔrG° | 359.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeCl3-; ; ΔS(EA)=5.0; B |
By formula: F- + HF = (F- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.8 ± 1.6 | kcal/mol | CIDC | Wenthold and Squires, 1995 | gas phase; B |
ΔrH° | 38.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
ΔrH° | >34.6 ± 4.6 | kcal/mol | Ther | Heni and Illenberger, 1985 | gas phase; From CHF=CHF. Outdataed HC2. thermo used. Current value ( Berkowitz, Ellison, et al., 1994) implies Haff>57.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32.0 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32.0 | 289. | ICR | Larson and McMahon, 1983 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
By formula: Cl- + HF = (Cl- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)SO2, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: Br- + HF = (Br- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 ± 2.0 | kcal/mol | Est | Larson and McMahon, 1984, 3 | gas phase; Extrapolated from other bihalide data; B |
ΔrH° | 17.0 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
By formula: I- + HF = (I- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.0 ± 2.0 | kcal/mol | Est | Larson and McMahon, 1984, 3 | gas phase; Extrapolated from other bihalide data; B |
ΔrH° | 15. | kcal/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
By formula: CF4 + 2H2O = CO2 + 4HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -41.5 ± 1.0 | kcal/mol | Cm | Good, Scott, et al., 1956 | gas phase; HF has 10 moles H2O, see Scott, Good, et al., 1955; ALS |
ΔrH° | -41.5 ± 1.0 | kcal/mol | Cm | Scott, Good, et al., 1955 | gas phase; Heat of hydrolysis; ALS |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.20 ± 0.30 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -21.11 ± 0.69 kcal/mol; %hf298_gas[kcal/mol]=-66.97±0.71; Kolesov and Kozina, 1986; ALS |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -22.00 ± 0.50 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -22.9 ± 1.6 kcal/mol; %hf298_gas[kcal/mol]=-66.71±0.62; Kolesov and Kozina, 1986; ALS |
By formula: C4H4F2N6O10 + 6O2 + C6H10O4 = 10CO2 + 2HF + 3N2 + 6H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1189.33 ± 0.56 | kcal/mol | Ccr | Baroody and Carpenter, 1973 | solid phase; Corrected for CODATA value of ΔfH; HF.100H2O; ALS |
By formula: C4F9O- + HF = (C4F9O- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17. | kcal/mol | ICR | Larson and McMahon, 1983 | gas phase; M |
By formula: C3HF6O- + HF = (C3HF6O- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25. | kcal/mol | ICR | Larson and McMahon, 1983 | gas phase; M |
By formula: C4H3F6O- + HF = (C4H3F6O- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26. | kcal/mol | ICR | Larson and McMahon, 1983 | gas phase; M |
By formula: CF2O + H2O = CO2 + 2HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.73 ± 0.25 | kcal/mol | Ccr | Wartenberg, 1949 | gas phase; solvent: Gas phase;; Corrected for CODATA value of ΔfH; ALS |
By formula: C2HClF4 + HF = C2HF5 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.5 ± 1.5 | kcal/mol | Kin | Coulson, 1993 | gas phase; solvent: On solid catalyst; ALS |
By formula: C2HClF4 + HCl = C2HCl2F3 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.4 ± 1.4 | kcal/mol | Kin | Coulson, 1993 | gas phase; solvent: On solid catalyst; ALS |
By formula: (H2F+ • HF) + HF = (H2F+ • 2HF)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 4.2 | kcal/mol | PI | Tiedemann, Anderson, et al., 1979 | gas phase; M |
By formula: C2F4 + 2H2 = 2C + 4HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -147.8 ± 1.1 | kcal/mol | Chyd | Neugebauer and Margrave, 1956 | gas phase; ALS |
By formula: HF+ + HF = (HF+ • HF)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33. | kcal/mol | PI | Tiedemann, Anderson, et al., 1979 | gas phase; ΔrH>; M |
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 |
By formula: H2F+ + HF = (H2F+ • HF)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.1 ± 2.5 | kcal/mol | PI | Tiedemann, Anderson, et al., 1979 | gas phase; M |
By formula: C2H3F + HF = C2H4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12. | kcal/mol | Eqk | Moore, 1971 | gas phase; ALS |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]
Blondel, Delsart, et al., 2001
Blondel, C.; Delsart, C.; Goldfarb, F.,
Electron spectrometry at the mu eV level and the electron affinities of Si and F,
J. Phys. B: Atom. Mol. Opt. Phys., 2001, 34, 9, L281-L288, https://doi.org/10.1088/0953-4075/34/9/101
. [all data]
Martin and Hepburn, 2000
Martin, J.D.D.; Hepburn, J.W.,
Faraday Disc. Chem. Soc., 2000, 115, 416. [all data]
Wagman, Evans, et al., 1982
Wagman, D.D.; Evans, W.H.; Parker, V.B.; Schumm, R.H.; Halow, I.; Bailey, S.M.; Churney, K.L.; Nuttall, R.L.,
The NBS Tables of Chemical Thermodynamic Properties (NBS Tech Note 270),
J. Phys. Chem. Ref. Data, Supl. 1, 1982, 11. [all data]
Blondel, Cacciani, et al., 1989
Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R.,
High Resolution Determination of the Electron Affinity of Fluorine and Bromine using Crossed Ion and Laser Beams,
Phys. Rev. A, 1989, 40, 7, 3698, https://doi.org/10.1103/PhysRevA.40.3698
. [all data]
Bierbaum, Schmidt, et al., 1981
Bierbaum, V.M.; Schmidt, R.J.; DePuy, C.H.; Mead, R.H.; Schulz, P.A.; Lineberger, W.C.,
Reactions of carbanions with triplet and singlet molecular oxygen,
J. Am. Chem. Soc., 1981, 103, 6262. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [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]
Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
J. Am. Chem. Soc., 1983, 105, 2944. [all data]
Heni and Illenberger, 1985
Heni, M.; Illenberger, E.,
The stability of the bifluoride ion (HF2-) in the gas phase,
J. Chem. Phys., 1985, 83, 6056. [all data]
Berkowitz, Ellison, et al., 1994
Berkowitz, J.; Ellison, G.B.; Gutman, D.,
Three methods to measure RH bond energies,
J. Phys. Chem., 1994, 98, 2744. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Larson and McMahon, 1984, 3
Larson, J.W.; McMahon, T.B.,
Gas phase bihalide and pseudohalide ions. An ICR determination of hydrogen bond energies in XHY- species (X,Y = F, Cl, Br, CN),
Inorg. Chem., 1984, 23, 2029. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103
. [all data]
Good, Scott, et al., 1956
Good, W.D.; Scott, D.W.; Waddington, G.,
Combustion calorimetry of organic fluorine compounds by a rotating-bomb method,
J. Phys. Chem., 1956, 60, 1080-1089. [all data]
Scott, Good, et al., 1955
Scott, D.W.; Good, W.D.; Waddington, G.,
Heat of formation of tetrafluoromethane from combustion calorimetry of polytetrafluoroethylene,
J. Am. Chem. Soc., 1955, 77, 245-246. [all data]
Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Park, J.D.,
Reaction heats of organic halogen compounds. VI. The catalytic hydrogenation of some alkyl fluorides,
J. Phys. Chem., 1956, 60, 1454-1455. [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]
Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P.,
Thermochemistry of organic and organohalogen compounds,
Russ. Chem. Rev., 1986, 55, 912. [all data]
Baroody and Carpenter, 1973
Baroody, E.E.; Carpenter, G.A.,
Enthalpies of formation of some fluorodinitroethyl derivatives and 2,2',4,4',6,6'-hexanitroazobenzene,
J. Chem. Eng. Data, 1973, 18, 28-36. [all data]
Wartenberg, 1949
Wartenberg, H.V.,
Die bildungswarme einiger fluorid,
Z. Anorg. Chem., 1949, 258, 354-360. [all data]
Coulson, 1993
Coulson, D.R.,
Kinetics of the fluorination/chlorination of 1-chloro-1,2,2,2-tetrafluoroethane,
J. Catal., 1993, 142, 289-302. [all data]
Tiedemann, Anderson, et al., 1979
Tiedemann, P.W.; Anderson, S.L.; Ceyer, S.T.; Hirooka, T.; Ng, C.Y.; Mahan, B.H.; Lee, Y.T.,
Proton affinities of hydrogen halides determined by the molecular beam photoionization method,
J. Chem. Phys., 1979, 71, 605. [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]
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]
Moore, 1971
Moore, L.O.,
Kinetics and thermodynamic data for the hydrogen fluoride addition to vinyl fluoride,
Can. J. Chem., 1971, 49, 2471-2475. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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