HO(CH2)4O anion


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

C4H9O2- + Hydrogen cation = 1,4-Butanediol

By formula: C4H9O2- + H+ = C4H10O2

Quantity Value Units Method Reference Comment
Δr356.1 ± 2.5kcal/molG+TSCrowder and Bartmess, 1993gas phase; ΔGacid at 80°C
Quantity Value Units Method Reference Comment
Δr354.6 ± 2.0kcal/molIMRECrowder and Bartmess, 1993gas phase; ΔGacid at 80°C
Δr360.20 ± 0.30kcal/molCIDCHouriet, Tabet, et al., 1984gas phase; value altered from reference due to change in acidity scale

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

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

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
2.67 ± 0.14D-EACrowder and Bartmess, 1993ΔGacid at 80°C

Protonation reactions

C4H9O2- + Hydrogen cation = 1,4-Butanediol

By formula: C4H9O2- + H+ = C4H10O2

Quantity Value Units Method Reference Comment
Δr356.1 ± 2.5kcal/molG+TSCrowder and Bartmess, 1993gas phase; ΔGacid at 80°C
Quantity Value Units Method Reference Comment
Δr354.6 ± 2.0kcal/molIMRECrowder and Bartmess, 1993gas phase; ΔGacid at 80°C
Δr360.20 ± 0.30kcal/molCIDCHouriet, Tabet, et al., 1984gas phase; value altered from reference due to change in acidity scale

References

Go To: Top, Reaction thermochemistry data, 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.

Crowder and Bartmess, 1993
Crowder, C.; Bartmess, J., The Gas Phase Acidities of Diols, J. Am. Soc. Mass Spectrom., 1993, 4, 9, 723, https://doi.org/10.1016/1044-0305(93)80051-Y . [all data]

Houriet, Tabet, et al., 1984
Houriet, R.; Tabet, J.-C.; Tchapla, A., Gas-phase Acidities of Aliphatic and Cyclic Diols, Spectros. Int. J., (1984),, 1984, 3, 132.. [all data]


Notes

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