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1-Propanol, 2,2-dimethyl-

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C5H12O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)795.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity765.2kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.72 ± 0.05EIBissonnette, George, et al., 1990LL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H8+10.2 ± 0.1CH3OHEIBissonnette, George, et al., 1990LL

De-protonation reactions

C5H11O- + Hydrogen cation = 1-Propanol, 2,2-dimethyl-

By formula: C5H11O- + H+ = C5H12O

Quantity Value Units Method Reference Comment
Deltar1559. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1561. ± 9.6kJ/molD-EAJanousek, Zimmerman, et al., 1978gas phase; B
Deltar1559. ± 8.4kJ/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
Deltar1531. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Deltar1533. ± 10.kJ/molH-TSJanousek, Zimmerman, et al., 1978gas phase; B
Deltar1532. ± 8.8kJ/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; 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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Bissonnette, George, et al., 1990
Bissonnette, M.; George, M.; Holmes, J.L., The experimental investigation of [C5H12O] ion structures related to neopentyl alcohol and its methyl ether, Int. J. Mass Spectrom. Ion Processes, 1990, 101, 309. [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]

Janousek, Zimmerman, et al., 1978
Janousek, B.K.; Zimmerman, A.H.; Reed, K.J.; Brauman, J.I., Electron detachment from aliphatic molecular anions. Gas phase electron affinites of methoxyl, tert-butoxyl, and neopentoxyl radicals, J. Am. Chem. Soc., 1978, 100, 6142. [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]


Notes

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