Chemical Properties of Estra-1,3,5(10),6-tetraene-3,17-diol, (17«beta»)- (CAS 7291-41-0)

Estra-1,3,5(10),6-tetraene-3,17-diol, (17«beta»)-

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InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3
InChI Key
VVLCELUSWGWMSW-UHFFFAOYSA-N
Formula
C18H22O2
SMILES
CC12CCC3c4ccc(O)cc4C=CC3C1CCC2O
Molecular Weight1
270.37
CAS
7291-41-0
Other Names
  • Estra-1,3,5(10),6-tetraene-3,17«beta»-diol
  • Estra-1,3,5(10),6-tetraene-3,17beta-diol
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Physical Properties

Property Value Unit Source
Δf 79.12 kJ/mol Joback Calculated Property
Δfgas -280.91 kJ/mol Joback Calculated Property
Δfus 33.17 kJ/mol Joback Calculated Property
Δvap 86.90 kJ/mol Joback Calculated Property
log10WS -4.29 Crippen Calculated Property
logPoct/wat 3.690 Crippen Calculated Property
McVol 215.580 ml/mol McGowan Calculated Property
Pc 2673.54 kPa Joback Calculated Property
Tboil 834.52 K Joback Calculated Property
Tc 1070.72 K Joback Calculated Property
Tfus 567.06 K Joback Calculated Property
Vc 0.757 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [720.68; 837.17] J/mol×K [834.52; 1070.72] Show Hide
Cp,gas 720.68 J/mol×K 834.52 Joback Calculated Property
Cp,gas 739.13 J/mol×K 873.89 Joback Calculated Property
Cp,gas 757.56 J/mol×K 913.25 Joback Calculated Property
Cp,gas 776.28 J/mol×K 952.62 Joback Calculated Property
Cp,gas 795.58 J/mol×K 991.98 Joback Calculated Property
Cp,gas 815.78 J/mol×K 1031.35 Joback Calculated Property
Cp,gas 837.17 J/mol×K 1070.72 Joback Calculated Property

Similar Compounds

6-Dehydroestradiol, TMS. 6-Dehydroestrone (enol), TMS. 11B-Hydroxyoestrone (enol), TMS. 11B-Hydroxyoestradiol, TMS. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Nalmefene, bis(trifluoroacetate). Benazepril Me. azadirachtin. Cinchonidine. Cinchonine. SCHEMBL9488362. Estra-1,3,5(10),6-tetraen-17-one, 3-[(trimethylsilyl)oxy]-. QUINIDINE, M(HO-), AC. cis-1,2-Indanediol, ferrocenylboronate.

Find more compounds similar to Estra-1,3,5(10),6-tetraene-3,17-diol, (17«beta»)-.

Sources

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