Acetamide, 2,2,2-trifluoro-N-phenyl-


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 by: John E. Bartmess

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Individual Reactions

C8H5F3NO- + Hydrogen cation = Acetamide, 2,2,2-trifluoro-N-phenyl-

By formula: C8H5F3NO- + H+ = C8H6F3NO

Quantity Value Units Method Reference Comment
Δr1395. ± 8.8kJ/molG+TSTaft and Bordwell, 1988gas phase
Quantity Value Units Method Reference Comment
Δr1366. ± 8.4kJ/molIMRETaft and Bordwell, 1988gas phase

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
8.93 ± 0.05PESzepes, Distefano, et al., 1974Vertical value; LLK

De-protonation reactions

C8H5F3NO- + Hydrogen cation = Acetamide, 2,2,2-trifluoro-N-phenyl-

By formula: C8H5F3NO- + H+ = C8H6F3NO

Quantity Value Units Method Reference Comment
Δr1395. ± 8.8kJ/molG+TSTaft and Bordwell, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1366. ± 8.4kJ/molIMRETaft and Bordwell, 1988gas phase; B

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 2325
Date Not specified, most likely prior to 1970
Name(s) 2,2,2-trifluoro-N-phenylacetamide
State SOLUTION (1% CCl4 FOR 5000-1330, 1% CS2 FOR 1330-625 CM-1)
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length 0.130 CM, 0.130 CM
SPECTRAL CONTAMINATION DUE TO CS2 AROUND 850, AND CCl4 AROUND 1550, 2300 CM-1
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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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Mass spectrum
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Additional Data

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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 T.A.BLAZER DU PONT, GIBBSTOWN, N.J., USA
NIST MS number 8167

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Gas Chromatography

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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

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-52193.85Hasegawa, Usami, et al., 19902. K/min; Column length: 12. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 270. C

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G., Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase, Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005 . [all data]

Szepes, Distefano, et al., 1974
Szepes, L.; Distefano, G.; Pignataro, S., Steric inhibition of resonance in acetanilides by UV photoelectron spectroscopy, Ann. Chim., 1974, 64, 159. [all data]

Hasegawa, Usami, et al., 1990
Hasegawa, K.; Usami, S.; Higashide, A., Analysis of amino polycyclic aromatic hydrocarbons and polycyclic aromatic nitrogen heterocycles, Nippon Kagaku Kaishi, 1990, 7, 777-788, https://doi.org/10.1246/nikkashi.1990.777 . [all data]


Notes

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