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Methyl fluoride

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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.

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

Quantity Value Units Method Reference Comment
Deltafgas-234.30kJ/molReviewChase, 1998Data last reviewed in December, 1963
Deltafgas-247.kJ/molIonLias, Karpas, et al., 1985ALS
Quantity Value Units Method Reference Comment
gas,1 bar222.84J/mol*KReviewChase, 1998Data last reviewed in December, 1963

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. - 1200.1200. - 6000.
A -8.80259388.64892
B 154.856110.09951
C -91.15011-1.937578
D 21.550070.128915
E 0.680703-21.52898
F -235.5169-307.0345
G 173.7096270.0345
H -234.3044-234.3044
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1963 Data last reviewed in December, 1963

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
MS - José A. Martinho Simões
RCD - Robert C. Dunbar

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 + Methyl fluoride = (Chlorine anion bullet Methyl fluoride)

By formula: Cl- + CH3F = (Cl- bullet CH3F)

Quantity Value Units Method Reference Comment
Deltar48.1 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar84.9J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)CH3Cl, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar23.kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)CH3Cl, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M

CH2F- + Hydrogen cation = Methyl fluoride

By formula: CH2F- + H+ = CH3F

Quantity Value Units Method Reference Comment
Deltar1756. ± 19.kJ/molEIAERogers, Simpson, et al., 2010gas phase; B
Deltar1711. ± 17.kJ/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar1676. ± 17.kJ/molH-TSGraul and Squires, 1990gas phase; B

HO2S+ + Methyl fluoride = (HO2S+ bullet Methyl fluoride)

By formula: HO2S+ + CH3F = (HO2S+ bullet CH3F)

Quantity Value Units Method Reference Comment
Deltar106.kJ/molPHPMSMcMahon and Kebarle, 1986gas phase; switching reaction(SO2H+)SO2; M
Quantity Value Units Method Reference Comment
Deltar119.J/mol*KPHPMSMcMahon and Kebarle, 1986gas phase; switching reaction(SO2H+)SO2; M

Methyl cation + Methyl fluoride = (Methyl cation bullet Methyl fluoride)

By formula: CH3+ + CH3F = (CH3+ bullet CH3F)

Quantity Value Units Method Reference Comment
Deltar230.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M

Lithium ion (1+) + Methyl fluoride = (Lithium ion (1+) bullet Methyl fluoride)

By formula: Li+ + CH3F = (Li+ bullet CH3F)

Quantity Value Units Method Reference Comment
Deltar130.kJ/molICRStaley and Beauchamp, 1975gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 interpolated; M

CH6N+ + Methyl fluoride = (CH6N+ bullet Methyl fluoride)

By formula: CH6N+ + CH3F = (CH6N+ bullet CH3F)

Quantity Value Units Method Reference Comment
Deltar49.4kJ/molPHPMSMeot-Ner, 1984gas phase; M
Quantity Value Units Method Reference Comment
Deltar97.5J/mol*KPHPMSMeot-Ner, 1984gas phase; M

CH4F+ + Methyl fluoride = (CH4F+ bullet Methyl fluoride)

By formula: CH4F+ + CH3F = (CH4F+ bullet CH3F)

Quantity Value Units Method Reference Comment
Deltar130. ± 8.kJ/molPHPMSMcMahon and Kebarle, 1986gas phase; switching reaction(SO2H+)SO2; Lias, Liebman, et al., 1984; M

C5O5W (g) + Methyl fluoride (g) = C6H3FO5W (g)

By formula: C5O5W (g) + CH3F (g) = C6H3FO5W (g)

Quantity Value Units Method Reference Comment
Deltar-47. ± 13.kJ/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS

Aluminum ion (1+) + Methyl fluoride = (Aluminum ion (1+) bullet Methyl fluoride)

By formula: Al+ + CH3F = (Al+ bullet CH3F)

Quantity Value Units Method Reference Comment
Deltar90.0 ± 8.4kJ/molEqGBouchard, Brenner, et al., 1997RCD

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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Lias, Karpas, et al., 1985
Lias, S.G.; Karpas, Z.; Liebman, J.F., Halomethylenes: effects of halogen substitution on absolute heats of formation, J. Am. Chem. Soc., 1985, 107, 6089-6096. [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]

Rogers, Simpson, et al., 2010
Rogers, N.J.; Simpson, M.J.; Tuckett, R.P.; Dunn, K.F.; Latimer, C.J., Vacuum-UV negative photoion spectroscopy of CH3F, CH3Cl and CH3Br, Phys. Chem. Chem. Phys., 2010, 12, 36, 10971-10980, https://doi.org/10.1039/c0cp00234h . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

McMahon and Kebarle, 1986
McMahon, T.B.; Kebarle, P., Strong hydrogen bonding in gas-phase ions: A high pressure mass spectrometric study of formation and energetics of methyl fluoride proton bound dimer, J. Am. Chem. Soc., 1986, 108, 6502. [all data]

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Meot-Ner, 1984
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Brown, Ishikawa, et al., 1990
Brown, C.E.; Ishikawa, Y.; Hackett, P.A.; Rayner, D.M., J. Am. Chem. Soc., 1990, 112, 2530. [all data]

Bouchard, Brenner, et al., 1997
Bouchard, F.; Brenner, V.; Carra, C.; Hepburn, J.W.; Koyanagi, G.K.; McMahon, T.B.; Ohanessian, G.; Peschke, M., Energetics and Structure of Complexes of Al+ with Small Organic Molecules in the Gas Phase, J. Phys. Chem. A, 1997, 101, 33, 5885, https://doi.org/10.1021/jp9703465 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References