Silane, trifluoromethyl-


Gas phase 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.

Quantity Value Units Method Reference Comment
Δfgas-1232.71kJ/molReviewChase, 1998Data last reviewed in December, 1960
Quantity Value Units Method Reference Comment
gas,1 bar314.14J/mol*KReviewChase, 1998Data last reviewed in December, 1960

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. - 1500.
A 58.92704
B 164.5350
C -97.43908
D 22.18616
E -0.807311
F -1259.510
G 335.9857
H -1232.711
ReferenceChase, 1998
Comment Data last reviewed in December, 1960

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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

Fluorine anion + Silane, trifluoromethyl- = (Fluorine anion • Silane, trifluoromethyl-)

By formula: F- + CH3F3Si = (F- • CH3F3Si)

Quantity Value Units Method Reference Comment
Δr257. ± 21.kJ/molIMRBMurphy and Beauchamp, 1977gas phase; B
Δr211. ± 8.4kJ/molIMRELarson and McMahon, 1985gas 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
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Δr180. ± 8.4kJ/molIMRELarson and McMahon, 1985gas 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

CH2F3Si- + Hydrogen cation = Silane, trifluoromethyl-

By formula: CH2F3Si- + H+ = CH3F3Si

Quantity Value Units Method Reference Comment
Δr1542. ± 16.kJ/molG+TSAllison and McMahon, 1990gas phase; Between acetone and acetaldehyde. In conflict with Campanaro, Marvin, et al., 1988; B
Δr1555. ± 19.kJ/molG+TSCampanaro, Marvin, et al., 1988gas phase; Between HF and acetone; B
Quantity Value Units Method Reference Comment
Δr1508. ± 16.kJ/molIMRBAllison and McMahon, 1990gas phase; Between acetone and acetaldehyde. In conflict with Campanaro, Marvin, et al., 1988; B
Δr1522. ± 19.kJ/molIMRBCampanaro, Marvin, et al., 1988gas phase; Between HF and acetone; B

CN- + Silane, trifluoromethyl- = (CN- • Silane, trifluoromethyl-)

By formula: CN- + CH3F3Si = (CN- • CH3F3Si)

Quantity Value Units Method Reference Comment
Δr94.6 ± 4.2kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr130.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Δr57.3 ± 2.1kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

Chlorine anion + Silane, trifluoromethyl- = (Chlorine anion • Silane, trifluoromethyl-)

By formula: Cl- + CH3F3Si = (Cl- • CH3F3Si)

Quantity Value Units Method Reference Comment
Δr67.4 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(t-C4H9OH), Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr40. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

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]

Murphy and Beauchamp, 1977
Murphy, M.K.; Beauchamp, J.L., Methyl and Fluorine Substituent Effects on the Gas Phase Lewis Acidities of Silanes by ICR Spectroscopy, J. Am. Chem. Soc., 1977, 99, 15, 4992, https://doi.org/10.1021/ja00457a017 . [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [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]

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]

Allison and McMahon, 1990
Allison, C.E.; McMahon, T.B., How Strong is the Si=C Bond in Fluoro- and Methyl Substituted Silaethylenes? An Experimental Determination of Pi Bond Strengths, J. Am. Chem. Soc., 1990, 112, 5, 1672, https://doi.org/10.1021/ja00161a002 . [all data]

Campanaro, Marvin, et al., 1988
Campanaro, A.; Marvin, C.H.; Morehouse, S.P.; McMahon, T.B., A Gas-phase Anionic Analog of the Wittig Reaction. An Ion Cyclotron Resonance Study of the Gas Phase Ion Chemistry of Silyl Carbanions., Org. Mass Spectrom., 1988, 23, 9, 663, https://doi.org/10.1002/oms.1210230907 . [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]


Notes

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