Estradiol Benzoate
- Formula: C25H28O3
- Molecular weight: 376.4880
- IUPAC Standard InChI: InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m0/s1
- IUPAC Standard InChIKey: UYIFTLBWAOGQBI-PPWDSJTCSA-N
- CAS Registry Number: 50-50-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate; Estradiol, 3-benzoate; β-Estradiol benzoate; β-Estradiol 3-benzoate; Benovocylin; Benzhormovarine; Benzo-Gynoestryl; Benzoestrofol; Benzofoline; De Graafina; Diffollisterol; Difolliculine; Dimenformon benzoate; Diogyn B; Eston-B; Estradiol monobenzoate; Femestrone; Graafina; Gynecormone; Gynformone; Hidroestron; Hormogynon; Oestroform [BDH]; Ovahormon benzoate; Ovasterol-B; Ovocyclin Benzoate; Ovocyclin M; Ovocyclin-MB; Primogyn B; Progynon benzoate; Progynon B; Recthormone oestradiol; Solestro; Unistradiol; 1,3,5(10)-Estratriene-3,17β-diol 3-benzoate; 17β-Estradiol benzoate; 17β-Estradiol 3-benzoate; Benzoestrofol difolliculin; Dihydroestrin benzoate; Dihydrofolliculin benzoate; Dimenformone; Estra-1,3,5(10)-triene-3,17β-diol, 3-benzoate; Estradiol-17β benzoate; Estradiol-17β 3-benzoate; EBZ; Follicormon; Follidrin; Hydroxyestrin benzoate; MEE; Oestradiol benzoate; Oestradiol monobenzoate; Oestroform; Primogyn I; 17β-Estradiol monobenzoate; Benzoate d'oestradiol; Benzoic acid estradiol; ODB; Oestradiol 3-benzoate; β-Oestradiol benzoate; β-Oestradiol 3-benzoate; 17-β-Oestradiol 3-benzoate; 1,3,5(10)-Oestratriene-3,17-β-diol 3-benzoate; Oestraform; Primogyn boleosum; Benzestrofol; Benzogynestryl; (17β)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate; Benztrone; NSC-9566; Pelanin benzoate; 17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate, (17β)-; 3-Benzoyloxy-17β-hydroxyestra-1,3,5(10)-triene; Estrogin; Folone; Mesalin
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Henry's Law 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
| k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3200. | 6800. | L | N/A | |
| 3000. | 7200. | c | N/A | |
| 3100. | 6500. | M | N/A | The data from Table 1 by missing citation was used to redo the regression analysis. The data for acetone in their Table 2 is wrong. |
| 3000. | 7200. | M | N/A | missing citation list effective values that take into account hydration of the aldehydes: kH = ([RCHO] + [RCH(OH)2]) / p(RCHO) |
| 14000. | C | N/A | ||
| 6300. | Q | N/A | Several references are given in the list of Henry's law constants but not assigned to specific species. | |
| 7000. | 6400. | T | N/A | |
| 6000. | X | N/A | Value given here as quoted by missing citation. |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Patti Price, Georgia Bureau of Investigation, Decatur, Georgia |
| NIST MS number | 248357 |
References
Go To: Top, Henry's Law data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
No reference data available.
Notes
Go To: Top, Henry's Law data, Mass spectrum (electron ionization), References
- Symbols used in this document:
d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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