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3,5-Bis(trifluoromethyl)phenol


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

C8H3F6O- + Hydrogen cation = 3,5-Bis(trifluoromethyl)phenol

By formula: C8H3F6O- + H+ = C8H4F6O

Quantity Value Units Method Reference Comment
Deltar1379. ± 8.8kJ/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Deltar1351. ± 8.4kJ/molIMRETaft and Topsom, 1987gas phase

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

De-protonation reactions

C8H3F6O- + Hydrogen cation = 3,5-Bis(trifluoromethyl)phenol

By formula: C8H3F6O- + H+ = C8H4F6O

Quantity Value Units Method Reference Comment
Deltar1379. ± 8.8kJ/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Deltar1351. ± 8.4kJ/molIMRETaft and Topsom, 1987gas phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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 Japan AIST/NIMC Database- Spectrum MS-NW-9539
NIST MS number 238648

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References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D., The Nature and Analysis of Substituent Effects, Prog. Phys. Org. Chem., 1987, 16, 1. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References