2-Trifluoromethyl-2-propanol


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

Quantity Value Units Method Reference Comment
Tboil353. to 354.KN/APCR 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

C4H6F3O- + Hydrogen cation = 2-Trifluoromethyl-2-propanol

By formula: C4H6F3O- + H+ = C4H7F3O

Quantity Value Units Method Reference Comment
Δr360.1 ± 2.1kcal/molG+TSCaldwell, McMahon, et al., 1985gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr353.5 ± 2.0kcal/molIMRECaldwell, McMahon, et al., 1985gas phase; value altered from reference due to change in acidity scale

Gas phase ion energetics 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

De-protonation reactions

C4H6F3O- + Hydrogen cation = 2-Trifluoromethyl-2-propanol

By formula: C4H6F3O- + H+ = C4H7F3O

Quantity Value Units Method Reference Comment
Δr360.1 ± 2.1kcal/molG+TSCaldwell, McMahon, et al., 1985gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr353.5 ± 2.0kcal/molIMRECaldwell, McMahon, et al., 1985gas phase; value altered from reference due to change in acidity scale

References

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

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

Caldwell, McMahon, et al., 1985
Caldwell, G.; McMahon, T.B.; Kebarle, P.; Bartmess, J.E.; Kiplinger, J.P., Methyl substituent effects in the gas phase acidities of halosubstituted oxygen acids. A realignment with substituent effects in solution, J. Am. Chem. Soc., 1985, 107, 80. [all data]


Notes

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