Chemical Properties of «alpha»-Estradiol (CAS 57-91-0)

«alpha»-Estradiol

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InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15?,16?,17-,18?/m0/s1
InChI Key
VOXZDWNPVJITMN-LESVLKBLSA-N
Formula
C18H24O2
SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2O
Molecular Weight1
272.38
CAS
57-91-0
Other Names
  • Estra-1,3,5(10)-triene-3,17-diol, (17«alpha»)-
  • 17«alpha»-Estradiol
  • Epiestradiol
  • Estra-1,3,5(10)-triene-3,17«alpha»-diol
  • Oestra-1,3,5(10)-triene-3,17«alpha»-diol
  • 1,3,5-Estratriene-3,17«alpha»-diol
  • 17«alpha»-Oestradiol
  • 3,17«alpha»-Dihydroxyestra-1,3,5(10)-triene
  • 3,17«alpha»-Dihydroxyoestra-1,3,5(10)-triene
  • 3,17-Dihydroxyestratriene
  • Estradiol, 17«alpha»-
  • Oestradiol-17«alpha»
  • Estra-1,3,5(10)-triene-3,17alpha-diol
  • 17-Epiestradiol
  • NSC 20293
  • Epiestrol
  • Estra-1,3,5(10)-triene-3,17-diol
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Physical Properties

Property Value Unit Source
Δf 49.16 kJ/mol Joback Calculated Property
Δfgas -338.69 kJ/mol Joback Calculated Property
Δfus 31.95 kJ/mol Joback Calculated Property
Δvap 86.61 kJ/mol Joback Calculated Property
log10WS -4.27 Crippen Calculated Property
logPoct/wat 3.609 Crippen Calculated Property
McVol 219.880 ml/mol McGowan Calculated Property
Pc 2576.72 kPa Joback Calculated Property
Inp [2707.40; 2743.90]   Show Hide
Inp 2725.10 NIST
Inp 2742.90 NIST
Inp 2743.90 NIST
Inp 2707.40 NIST
Tboil 835.36 K Joback Calculated Property
Tc 1069.90 K Joback Calculated Property
Tfus 566.30 K Joback Calculated Property
Vc 0.771 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [748.75; 869.14] J/mol×K [835.36; 1069.90] Show Hide
Cp,gas 748.75 J/mol×K 835.36 Joback Calculated Property
Cp,gas 768.05 J/mol×K 874.45 Joback Calculated Property
Cp,gas 787.26 J/mol×K 913.54 Joback Calculated Property
Cp,gas 806.67 J/mol×K 952.63 Joback Calculated Property
Cp,gas 826.60 J/mol×K 991.72 Joback Calculated Property
Cp,gas 847.32 J/mol×K 1030.81 Joback Calculated Property
Cp,gas 869.14 J/mol×K 1069.90 Joback Calculated Property

Similar Compounds

Estradiol. Estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17«beta»)-. Estriol. Epiestriol. Ethinyl Estradiol. 1,3,5(10)-Oestratrien-17«alpha»-ol, 3-methoxy. Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-. Estra-1,3,5(10)-triene-3,15,17-triol, (15«alpha»,17«beta»)-. Estradiol Valerate. Estra-1,3,5(10)-trien-3-ol, 16,17-epoxy-, (16«beta»,17«beta»)-. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB. Estradiol Cypionate. 17«beta»-Oestradiol, 3-methoxy, TFA. Estradiol Benzoate. «alpha»-Estradiol, bis(trifluoroacetate).

Find more compounds similar to «alpha»-Estradiol.

Sources

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