11-beta-OAc-17-beta-estradiolate 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

C20H24O4- + Hydrogen cation = C20H25O4

By formula: C20H24O4- + H+ = C20H25O4

Quantity Value Units Method Reference Comment
Δr1465. ± 12.kJ/molG+TSBourgoin-Voillard, Fournier, et al., 2012gas phase; See Bourgoin-Voillard, Zins, et al., 2009 for more
Quantity Value Units Method Reference Comment
Δr1444. ± 10.kJ/molCIDCBourgoin-Voillard, Fournier, et al., 2012gas phase; See Bourgoin-Voillard, Zins, et al., 2009 for more

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 compiled by: John E. Bartmess

Protonation reactions

C20H24O4- + Hydrogen cation = C20H25O4

By formula: C20H24O4- + H+ = C20H25O4

Quantity Value Units Method Reference Comment
Δr1465. ± 12.kJ/molG+TSBourgoin-Voillard, Fournier, et al., 2012gas phase; See Bourgoin-Voillard, Zins, et al., 2009 for more
Quantity Value Units Method Reference Comment
Δr1444. ± 10.kJ/molCIDCBourgoin-Voillard, Fournier, et al., 2012gas phase; See Bourgoin-Voillard, Zins, et al., 2009 for more

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.

Bourgoin-Voillard, Fournier, et al., 2012
Bourgoin-Voillard, S.; Fournier, F.; Afonso, C.; Zins, E.L.; Jacquot, Y.; Pepe, C.; Leclercq, G.; Tabet, J.C., Electronic Effects of 11 beta Substituted 17 beta-Estradiol Derivatives and Instrumental Effects on the Relative Gas Phase Acidity, J. Am. Soc. Mass Spectrom., 2012, 23, 12, 2167-2177, https://doi.org/10.1007/s13361-012-0486-8 . [all data]

Bourgoin-Voillard, Zins, et al., 2009
Bourgoin-Voillard, S.; Zins, E.L.; Fournier, F.; Jacquot, Y.; Afonso, C.; Pepe, C.; Leclercq, G.; Tabet, J.C., Stereochemical Effects During [M-H](-) Dissociations of Epimeric 11-OH-17 beta-Estradiols and Distant Electronic Effects of Substituents at C-(11) Position on Gas Phase Acidity, J. Am. Soc. Mass Spectrom., 2009, 20, 12, 2318-2333, https://doi.org/10.1016/j.jasms.2009.08.017 . [all data]


Notes

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