3-Pentanol, 2,2-dimethyl-

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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 by: John E. Bartmess

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Individual Reactions

C7H15O- + Hydrogen cation = 3-Pentanol, 2,2-dimethyl-

By formula: C7H15O- + H+ = C7H16O

Quantity Value Units Method Reference Comment
Δr369.8 ± 2.0kcal/molD-EAMihalick, Gatev, et al., 1996gas phase; Derived BDE: 104.2±2.8 kcal/mol
Δr370.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Δr363.2 ± 2.2kcal/molH-TSMihalick, Gatev, et al., 1996gas phase; Derived BDE: 104.2±2.8 kcal/mol
Δr363.4 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

Fluorine anion + 3-Pentanol, 2,2-dimethyl- = (Fluorine anion • 3-Pentanol, 2,2-dimethyl-)

By formula: F- + C7H16O = (F- • C7H16O)

Quantity Value Units Method Reference Comment
Δr33.80kcal/molN/AMihalick, Gatev, et al., 1996gas phase; affinity derived using a ROH..F. neutral binding energy of 10.3 kcal/mol.

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.

Mihalick, Gatev, et al., 1996
Mihalick, J.E.; Gatev, G.G.; Brauman, J.I., Electron Photodetachment Spectroscopy of Solvated Anions: RO.HF- or ROH.F-?, J. Am. Chem. Soc., 1996, 118, 49, 12424, https://doi.org/10.1021/ja954202k . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]


Notes

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