4-(Trifluoromethyl)-phenolIUPAC Standard InChIKey:BAYGVMXZJBFEMB-UHFFFAOYSA-N Copy CAS Registry Number: 402-45-9Other names:α,α,α-Trifluoro-p-cresol;4-Hydroxybenzotrifluoride;p-Hydroxybenzotrifluoride;Phenol, 4-(trifluoromethyl)-;Alpha,alpha,alpha-trifluoro-p-cresolInformation on this page:Other data available:Data at other public slovenija-expo2000.com sites:Options:

Reaction thermochemistry data

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

Data compiled as indicated in comments:B - John E. BartmessM - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using thereaction tìm kiếm for this species. This page allows searchingof all reactions involving this species. A general reaction searchform is also available. Future versions of this site may rely onreaction tìm kiếm pages in place of the enumerated reactiondisplays seen below.

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Individual Reactions

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By formula: Br-+CF3C6H4OH = (Br-•CF3C6H4OH)

QuantityValueUnitsMethodReferenceCommentQuantityValueUnitsMethodReferenceCommentQuantityValueUnitsMethodReferenceComment
ΔrH°111. ± 7.5kJ/molIMREPaul and Kebarle, 1990gas phase; ΔGaff at 423 K; B,M
ΔrS°96.J/mol*KN/APaul & Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M
ΔrG°70.7 ± 4.2kJ/molIMREPaul & Kebarle, 1990gas phase; ΔGaff at 423 K; B

Free energy of reaction

ΔrG° (kJ/mol)T (K)MethodReferenceComment
70.7423.PHPMSPaul và Kebarle, 1990gas phase; switching reaction,Thermochemical ladder(Br-)C6H5OH, Entropy change calculated or estimated; M

C7H4F3O-+

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By formula: C7H4F3O-+H+ = CF3C6H4OH

QuantityValueUnitsMethodReferenceCommentQuantityValueUnitsMethodReferenceComment
ΔrH°1410. ± 8.8kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due khổng lồ change in acidity scale; B
ΔrG°1381. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due khổng lồ change in acidity scale; B

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: slovenija-expo2000.com Mass Spectrometry Data Center, William E. Wallace, director

Mass spectrum (electron ionization)

Go To: Top, Reaction thermochemistry data, IR Spectrum, References, Notes

Data compiled by: slovenija-expo2000.com Mass Spectrometry Data Center, William E. Wallace, director

Spectrum


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References

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

Paul và Kebarle, 1990Paul, G.J.C.; Kebarle, P.,Stabilities in the Gas Phase of the Hydrogen Bonded Complexes, YC6H4OH-X-, of Substituted Phenols, YC6H4OH, with the Halide Anions X-(Cl-, Br-),Can. J. Chem., 1990, 68, 11, 2070, https://doi.org/10.1139/v90-316.

Fujio, McIver, et al., 1981Fujio, M.; McIver, R.T., Jr.; Taft, R.W.,Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities,J. Am. Chem. Soc., 1981, 103, 4017.

Notes

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

Symbols used in this document:
TTemperature
ΔrG°Free energy of reaction at standard conditions
ΔrH°Enthalpy of reaction at standard conditions
ΔrS°Entropy of reaction at standard conditions
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