Chemical Properties of Estra-1,3,5(10)-trien-3-ol, 16,17-epoxy-, (16«beta»,17«beta»)- (CAS 472-57-1)

Estra-1,3,5(10)-trien-3-ol, 16,17-epoxy-, (16«beta»,17«beta»)-

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InChI
InChI=1S/C18H22O2/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16-17(18)20-16/h3,5,8,13-17,19H,2,4,6-7,9H2,1H3
InChI Key
XPXOJYZDBJGFEI-UHFFFAOYSA-N
Formula
C18H22O2
SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CC1OC12
Molecular Weight1
270.37
CAS
472-57-1
Other Names
  • 1,3,5(10)-Oestratrien-3-ol, 16«beta»,17«beta»-epoxy, TFA
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Physical Properties

Property Value Unit Source
Δf 184.81 kJ/mol Joback Calculated Property
Δfgas -233.34 kJ/mol Joback Calculated Property
Δfus 38.17 kJ/mol Joback Calculated Property
Δvap 74.01 kJ/mol Joback Calculated Property
log10WS -4.10 Crippen Calculated Property
logPoct/wat 3.626 Crippen Calculated Property
McVol 209.020 ml/mol McGowan Calculated Property
Pc 2522.65 kPa Joback Calculated Property
Inp 2330.00 NIST
Tboil 768.33 K Joback Calculated Property
Tc 1019.88 K Joback Calculated Property
Tfus 557.03 K Joback Calculated Property
Vc 0.747 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [694.05; 818.87] J/mol×K [768.33; 1019.88] Show Hide
Cp,gas 694.05 J/mol×K 768.33 Joback Calculated Property
Cp,gas 714.43 J/mol×K 810.26 Joback Calculated Property
Cp,gas 734.42 J/mol×K 852.18 Joback Calculated Property
Cp,gas 754.42 J/mol×K 894.11 Joback Calculated Property
Cp,gas 774.88 J/mol×K 936.03 Joback Calculated Property
Cp,gas 796.22 J/mol×K 977.96 Joback Calculated Property
Cp,gas 818.87 J/mol×K 1019.88 Joback Calculated Property

Similar Compounds

Estradiol Valerate. .beta.-Estradiol, dimethyl ether. Estradiol Cypionate. Estriol, trimethyl ether. 17«beta»-Oestradiol, 3-methoxy, TFA. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-TMS-17-PFP. 17«beta»-Oestradiol, 3-methoxy, TMS. «alpha»-Estradiol, bis(trifluoroacetate). Estradiol, TFA. Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, bis(trifluoroacetate). Estradiol. «alpha»-Estradiol. 3,17Beta-dihydroxy-1,3,5(10)estratrien-16beta-ylacetic acid lactone. Estradiol, diacetate.

Find more compounds similar to Estra-1,3,5(10)-trien-3-ol, 16,17-epoxy-, (16«beta»,17«beta»)-.

Sources

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