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Benzene, 1,4-bis(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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil389.2KN/AAldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.99302.AStephenson and Malanowski, 1987Based on data from 287. - 390. K. See also Potter and Saylor, 1951 and Dykyj, Svoboda, et al., 1999.; AC

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

C8H3F6- + Hydrogen cation = Benzene, 1,4-bis(trifluoromethyl)-

By formula: C8H3F6- + H+ = C8H4F6

Quantity Value Units Method Reference Comment
Deltar375.2 ± 3.1kcal/molG+TSSchlosser, Mongin, et al., 1998gas phase
Quantity Value Units Method Reference Comment
Deltar366.6 ± 3.0kcal/molIMRESchlosser, Mongin, et al., 1998gas 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 as indicated in comments:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.43 ± 0.05EIGallegos and Klaver, 1967RDSH

De-protonation reactions

C8H3F6- + Hydrogen cation = Benzene, 1,4-bis(trifluoromethyl)-

By formula: C8H3F6- + H+ = C8H4F6

Quantity Value Units Method Reference Comment
Deltar375.2 ± 3.1kcal/molG+TSSchlosser, Mongin, et al., 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar366.6 ± 3.0kcal/molIMRESchlosser, Mongin, et al., 1998gas phase; B

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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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-IW-2617
NIST MS number 234600

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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]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Potter and Saylor, 1951
Potter, John C.; Saylor, John H., The Vapor Pressures and Freezing Points of Some Organic Fluorine Compounds 1,2, J. Am. Chem. Soc., 1951, 73, 1, 90-91, https://doi.org/10.1021/ja01145a032 . [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Schlosser, Mongin, et al., 1998
Schlosser, M.; Mongin, F.; Porwisiak, J.; Dmowski, W.; Buker, H.H.; Nibbering, N.M.M., Bis- and Oligo(trifluoromethyl)benzenes: Hydrogen/Metal Exchange Rates and Gas-Phase Acidities., Chem. Eur. J., 1998, 4, 7, 1281, https://doi.org/10.1002/(SICI)1521-3765(19980710)4:7<1281::AID-CHEM1281>3.0.CO;2-I . [all data]

Gallegos and Klaver, 1967
Gallegos, E.J.; Klaver, R.F., Automatic voltage scanner for a peak switching mass spectrometer, J.Sci. Instr., 1967, 44, 427. [all data]


Notes

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