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2-Propanol, 1,1,1,3,3,3-hexafluoro-

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

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

Fluorine anion + 2-Propanol, 1,1,1,3,3,3-hexafluoro- = (Fluorine anion bullet 2-Propanol, 1,1,1,3,3,3-hexafluoro-)

By formula: F- + C3H2F6O = (F- bullet C3H2F6O)

Quantity Value Units Method Reference Comment
Deltar197. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B
Quantity Value Units Method Reference Comment
Deltar163. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B

Chlorine anion + 2-Propanol, 1,1,1,3,3,3-hexafluoro- = (Chlorine anion bullet 2-Propanol, 1,1,1,3,3,3-hexafluoro-)

By formula: Cl- + C3H2F6O = (Cl- bullet C3H2F6O)

Quantity Value Units Method Reference Comment
Deltar111.kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, «DELTA»rH>; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar105.J/mol*KN/ALarson and McMahon, 1984gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, «DELTA»rH>; Larson and McMahon, 1984, 2; M
Quantity Value Units Method Reference Comment
Deltar79.5kJ/molICRLarson and McMahon, 1984gas phase; switching reaction(Cl-)(CF3)2CH3COH, Entropy change calculated or estimated, DG>, «DELTA»rH>; Larson and McMahon, 1984, 2; M

CN- + 2-Propanol, 1,1,1,3,3,3-hexafluoro- = (CN- bullet 2-Propanol, 1,1,1,3,3,3-hexafluoro-)

By formula: CN- + C3H2F6O = (CN- bullet C3H2F6O)

Quantity Value Units Method Reference Comment
Deltar105. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar70.3 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

C3HF6O- + Hydrogen cation = 2-Propanol, 1,1,1,3,3,3-hexafluoro-

By formula: C3HF6O- + H+ = C3H2F6O

Quantity Value Units Method Reference Comment
Deltar1443. ± 8.8kJ/molG+TSTaft, Koppel, et al., 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar1416. ± 8.4kJ/molIMRETaft, Koppel, et al., 1990gas phase; B
Deltar1424.2kJ/molIMRBKoppel, Pikver, et al., 1981gas phase; B

Iodide + 2-Propanol, 1,1,1,3,3,3-hexafluoro- = (Iodide bullet 2-Propanol, 1,1,1,3,3,3-hexafluoro-)

By formula: I- + C3H2F6O = (I- bullet C3H2F6O)

Quantity Value Units Method Reference Comment
Deltar100. ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

References

Go To: Top, Reaction thermochemistry data, Notes

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

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Taft, Koppel, et al., 1990
Taft, R.W.; Koppel, I.J.; Topsom, R.D.; Anvia, F., Acidities of OH Compounds, including Alcohols, Phenols, Carboxylic Acids, and Mineral Acids, J. Am. Chem. Soc., 1990, 112, 6, 2047, https://doi.org/10.1021/ja00162a001 . [all data]

Koppel, Pikver, et al., 1981
Koppel, I.; Pikver, R.; Sugis, A.; Suurmaa, E.; Lippmaa, E., FTICR Study of Structure and Solvent Effects on Basicity of Some Anions in the Gas Phase, Org. Reac., 1981, 18, 3. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]


Notes

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