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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
Deltafgas-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

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 by: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil243.KN/APCR Inc., 1990 

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

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

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

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

Quantity Value Units Method Reference Comment
Deltar257. ± 21.kJ/molIMRBMurphy and Beauchamp, 1977gas phase; B
Deltar211. ± 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
Deltar100.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
Deltar180. ± 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
Deltar1542. ± 16.kJ/molG+TSAllison and McMahon, 1990gas phase; Between acetone and acetaldehyde. In conflict with Campanaro, Marvin, et al., 1988; B
Deltar1555. ± 19.kJ/molG+TSCampanaro, Marvin, et al., 1988gas phase; Between HF and acetone; B
Quantity Value Units Method Reference Comment
Deltar1508. ± 16.kJ/molIMRBAllison and McMahon, 1990gas phase; Between acetone and acetaldehyde. In conflict with Campanaro, Marvin, et al., 1988; B
Deltar1522. ± 19.kJ/molIMRBCampanaro, Marvin, et al., 1988gas phase; Between HF and acetone; B

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

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

Quantity Value Units Method Reference Comment
Deltar94.6 ± 4.2kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar130.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
Deltar57.3 ± 2.1kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
Deltar67.4 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar92.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
Deltar40. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

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 compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
12.48 ± 0.04PIMurphy and Beauchamp, 1977, 2LLK
13.2PERoberge, Sandorfy, et al., 1978Vertical value; LLK
13.24 ± 0.02PECradock, Ebsworth, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
F3Si+13.33 ± 0.05CH3PIMurphy and Beauchamp, 1977, 2LLK

De-protonation reactions

CH2F3Si- + Hydrogen cation = Silane, trifluoromethyl-

By formula: CH2F3Si- + H+ = CH3F3Si

Quantity Value Units Method Reference Comment
Deltar1542. ± 16.kJ/molG+TSAllison and McMahon, 1990gas phase; Between acetone and acetaldehyde. In conflict with Campanaro, Marvin, et al., 1988; B
Deltar1555. ± 19.kJ/molG+TSCampanaro, Marvin, et al., 1988gas phase; Between HF and acetone; B
Quantity Value Units Method Reference Comment
Deltar1508. ± 16.kJ/molIMRBAllison and McMahon, 1990gas phase; Between acetone and acetaldehyde. In conflict with Campanaro, Marvin, et al., 1988; B
Deltar1522. ± 19.kJ/molIMRBCampanaro, Marvin, et al., 1988gas phase; Between HF and acetone; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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

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

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

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

Quantity Value Units Method Reference Comment
Deltar94.6 ± 4.2kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar130.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
Deltar57.3 ± 2.1kJ/molIMRELarson, Szulejko, et al., 1988gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
Deltar67.4 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar92.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
Deltar40. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

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

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

Quantity Value Units Method Reference Comment
Deltar257. ± 21.kJ/molIMRBMurphy and Beauchamp, 1977gas phase; B
Deltar211. ± 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
Deltar100.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
Deltar180. ± 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

Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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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.
Origin R.W.CRAWFORD UNIV. OF CALIFORNIA, LIVERMORE, CALIFORNIA, USA
NIST MS number 1131

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, 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]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]

Murphy and Beauchamp, 1977, 2
Murphy, M.K.; Beauchamp, J.L., Photoionization mass spectrometry of the fluoromethylsilanes (CH3)n F4-nSi (n = 1-4), J. Am. Chem. Soc., 1977, 99, 2085. [all data]

Roberge, Sandorfy, et al., 1978
Roberge, R.; Sandorfy, C.; Matthews, J.I.; Strausz, O.P., The far ultraviolet HeI photoelectron spectra of alkyl and fluorine substituted silane derivatives, J. Chem. Phys., 1978, 69, 5105. [all data]

Cradock, Ebsworth, et al., 1973
Cradock, S.; Ebsworth, E.A.V.; Whiteford, R.A., Photoelectron spectra of some simple fluorosilanes, J. Chem. Soc. Dalton Trans., 1973, 22, 2401. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), NIST Free Links, References