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Benzeneacetonitrile, 3-(trifluoromethyl)-


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

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference
365.70.005Aldrich Chemical Company Inc., 1990
365. - 366.0.005PCR 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 by: John E. Bartmess

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Individual Reactions

C9H5F3N- + Hydrogen cation = Benzeneacetonitrile, 3-(trifluoromethyl)-

By formula: C9H5F3N- + H+ = C9H6F3N

Quantity Value Units Method Reference Comment
Deltar1431. ± 10.kJ/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Deltar1403. ± 8.4kJ/molIMRETaft and Topsom, 1987gas phase

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction thermochemistry data, 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

C9H5F3N- + Hydrogen cation = Benzeneacetonitrile, 3-(trifluoromethyl)-

By formula: C9H5F3N- + H+ = C9H6F3N

Quantity Value Units Method Reference Comment
Deltar1431. ± 10.kJ/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Deltar1403. ± 8.4kJ/molIMRETaft and Topsom, 1987gas phase

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 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 RADIAN CORP
NIST MS number 70926

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References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

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

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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References