Propane, 1,1,1-trifluoro-

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.


Gas phase ion energetics data

Go To: Top, 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

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF3+14.8 ± 0.1?EISteele and Stone, 1962RDSH
CHF2+15.9 ± 0.1?EISteele and Stone, 1962RDSH
CH2F+15.7 ± 0.3?EISteele and Stone, 1962RDSH
C2H3+15.3 ± 0.1?EISteele and Stone, 1962RDSH
C2H4+13.0 ± 0.2?EISteele and Stone, 1962RDSH
C2H5+12.82 ± 0.02?EISteele and Stone, 1962RDSH
C3H3F2+13.6 ± 0.1?EISteele and Stone, 1962RDSH
C3H4F+15.8 ± 0.1?EISteele and Stone, 1962RDSH
C3H4F2+12.53 ± 0.04?EISteele and Stone, 1962RDSH
C3H5F2+14.9 ± 0.2FEISteele and Stone, 1962RDSH

De-protonation reactions

C3H4F3- + Hydrogen cation = Propane, 1,1,1-trifluoro-

By formula: C3H4F3- + H+ = C3H5F3

Quantity Value Units Method Reference Comment
Δr1699. ± 15.kJ/molCIDTGraul and Squires, 1990gas phase; B
Δr<1686.2kJ/molCIDTGraul and Squires, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr1667. ± 15.kJ/molH-TSGraul and Squires, 1990gas phase; B

References

Go To: Top, Gas phase ion energetics data, Notes

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

Steele and Stone, 1962
Steele, W.C.; Stone, F.G.A., An electron impact study of 1,1,1-trifluoroethane, 1,1,1-trifluoropropane and 3,3,3-trifluoropropene, J. Am. Chem. Soc., 1962, 84, 3450. [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Graul and Squires, 1988
Graul, S.T.; Squires, R.R., On the Existence of Alkyl Carbanions in the Gas Phase, J. Am. Chem. Soc., 1988, 110, 2, 607, https://doi.org/10.1021/ja00210a054 . [all data]


Notes

Go To: Top, Gas phase ion energetics data, References