3,5-Bis(trifluoromethyl)pyrazol

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference
69.0 ± 0.6266.MEElguero, Yranzo, et al., 1991

Reaction thermochemistry data

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

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

C5HF6N2- + Hydrogen cation = 3,5-Bis(trifluoromethyl)pyrazol

By formula: C5HF6N2- + H+ = C5H2F6N2

Quantity Value Units Method Reference Comment
Δr1358. ± 8.8kJ/molG+TSKoppel, Taft, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Δr1328. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas 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

C5HF6N2- + Hydrogen cation = 3,5-Bis(trifluoromethyl)pyrazol

By formula: C5HF6N2- + H+ = C5H2F6N2

Quantity Value Units Method Reference Comment
Δr1358. ± 8.8kJ/molG+TSKoppel, Taft, et al., 1994gas phase
Quantity Value Units Method Reference Comment
Δr1328. ± 8.4kJ/molIMREKoppel, Taft, et al., 1994gas 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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 A.Pleshkova, Nesmeyanov Inst.Org.Elem.Cpds, Moscow
NIST MS number 283608

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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.

Elguero, Yranzo, et al., 1991
Elguero, Jose; Yranzo, Gloria I.; Laynez, Jose; Jimenez, Pilar; Menendez, Margarita; Catalan, Javier; De Paz, Jose Luis G.; Anvia, Frederick; Taft, Robert W., Effect of the replacement of a methyl by a trifluoromethyl group on the acid-base properties of pyrazoles, J. Org. Chem., 1991, 56, 12, 3942-3947, https://doi.org/10.1021/jo00012a030 . [all data]

Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M., The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids, J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038 . [all data]


Notes

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