Chemical Properties of Epiestriol (CAS 547-81-9)

Epiestriol

InChI
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m0/s1
InChI Key
PROQIPRRNZUXQM-KHHDSSOXSA-N
Formula
C18H24O3
SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O
Molecular Weight1
288.38
CAS
547-81-9
Other Names
  • Estra-1,3,5(10)-triene-3,16,17-triol, (16«beta»,17«beta»)-
  • Actriol
  • Estra-1,3,5(10)-triene-3,16«beta»,17«beta»-triol
  • Estriol (3,16«beta»,17«beta»)
  • 16«beta»-Hydroxyestradiol
  • 16«beta»,17«beta»-Estriol
  • 16-epi-Estriol
  • 16-Epiestratriol
  • 3,16«beta»,17«beta»-Estriol
  • Epioestriol
  • Estra-1,3,5(10)-triene-3,16beta,17beta-triol
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Physical Properties

Property Value Unit Source
ΔfusH° 37.11 kJ/mol Joback Calculated Property
IE 8.29 eV Relay (1.0) Calculated Property
log10WS -3.87 Relay (1.0) Calculated Property
logPoct/wat 2.580 Crippen Calculated Property
McVol 225.750 ml/mol McGowan Calculated Property
Tfus 482.42 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [816.84; 942.13] J/mol×K [922.87; 1147.96] Show Hide
Cp,gas 816.84 J/mol×K 922.87 Joback Calculated Property
Cp,gas 835.77 J/mol×K 960.38 Joback Calculated Property
Cp,gas 855.14 J/mol×K 997.90 Joback Calculated Property
Cp,gas 875.20 J/mol×K 1035.41 Joback Calculated Property
Cp,gas 896.22 J/mol×K 1072.93 Joback Calculated Property
Cp,gas 918.44 J/mol×K 1110.44 Joback Calculated Property
Cp,gas 942.13 J/mol×K 1147.96 Joback Calculated Property

Similar Compounds

Estriol. Estradiol. «alpha»-Estradiol. Estra-1,3,5(10)-triene-3,15,17-triol, (15«alpha»,17«beta»)-. Estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17«beta»)-. Ethinyl Estradiol. Estriol, 3-(tert-butyldimethylsilyl) ether. 16-Epiestriol, 3,16-bis(trimethylsilyl) ether. 1,3,5(10)-Oestratrien-17«alpha»-ol, 3-methoxy. Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-. (17«alpha»)-3-Methoxyestra-1,3,5(10)-trien-17-ol. Estra-1,3,5(10)-triene-3,11,17-triol, (11.alpha.,17.beta.)-. Estra-1,3,5(10)-trien-3-ol, 16,17-epoxy-, (16.beta.,17.beta.)-. 3,16,17-Tris[(trimethylsilyl)oxy]estra-1,3,5(10)-triene, (16«beta»,17«beta»)-. Tri(trimethylsilyl) derivative of estriol.

Find more compounds similar to Epiestriol.

Sources

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