11-beta-OAc-17-beta-estradiolate anion
- Formula: C20H24O4-
- Molecular weight: 328.4027
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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 compiled by: John E. Bartmess
Protonation reactions
C20H24O4- + = C20H25O4
By formula: C20H24O4- + H+ = C20H25O4
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1465. ± 12. | kJ/mol | G+TS | Bourgoin-Voillard, Fournier, et al., 2012 | gas phase; See Bourgoin-Voillard, Zins, et al., 2009 for more |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1444. ± 10. | kJ/mol | CIDC | Bourgoin-Voillard, Fournier, et al., 2012 | gas phase; See Bourgoin-Voillard, Zins, et al., 2009 for more |
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.
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
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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