Chemical Properties of Equilenin (CAS 517-09-9)

Equilenin

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InChI
InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3
InChI Key
PDRGHUMCVRDZLQ-UHFFFAOYSA-N
Formula
C18H18O2
SMILES
CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O
Molecular Weight1
266.33
CAS
517-09-9
Other Names
  • (+)-Equilenin
  • 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one
  • 3-hydroxyoestra-1,3,5(10),6,8-pentaen-17-one
  • Equilenin acetate
  • Equilenina
  • Equilenine
  • Estra-1,3,5(10),6,8-pentaen-17-one, 3-hydroxy-
  • Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-
  • NSC 9901
  • d-Equilenin
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Physical Properties

Property Value Unit Source
Δf 127.18 kJ/mol Joback Calculated Property
Δfgas -170.52 kJ/mol Joback Calculated Property
Δfus 25.82 kJ/mol Joback Calculated Property
Δvap 77.01 kJ/mol Joback Calculated Property
log10WS [-5.25; -5.24]   Show Hide
log10WS -5.24 Aq. Sol...
log10WS -5.24 Estimat...
log10WS -5.25 Rytting...
logPoct/wat 3.944 Crippen Calculated Property
McVol 206.980 ml/mol McGowan Calculated Property
Pc 2811.36 kPa Joback Calculated Property
Inp [2837.20; 2863.30]   Show Hide
Inp 2837.20 NIST
Inp 2863.30 NIST
Inp 2862.60 NIST
Tboil 833.29 K Joback Calculated Property
Tc 1102.60 K Joback Calculated Property
Tfus 531.65 K Aq. Sol...
Vc 0.735 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [650.22; 774.61] J/mol×K [833.29; 1102.60] Show Hide
Cp,gas 650.22 J/mol×K 833.29 Joback Calculated Property
Cp,gas 669.21 J/mol×K 878.18 Joback Calculated Property
Cp,gas 688.36 J/mol×K 923.06 Joback Calculated Property
Cp,gas 708.07 J/mol×K 967.95 Joback Calculated Property
Cp,gas 728.74 J/mol×K 1012.83 Joback Calculated Property
Cp,gas 750.79 J/mol×K 1057.72 Joback Calculated Property
Cp,gas 774.61 J/mol×K 1102.60 Joback Calculated Property

Similar Compounds

Estra-1,3,5,7,9-pentaen-17-one, 3-[(trimethylsilyl)oxy]-. D-Homoestra-1,3,5(10),6,8-pentaen-17a-one,3-methoxy-,(14«beta»)-. 3-Acetoxy-17alpha-ethylestra-1,3,5(10),6,8-pentaen-17beta-ol. Estrone, trifluoroacetate. Estrone, TFA. Estrone. (-)-3-Menthoxyacetoxy-(-)-estra-1,3,5(10),6,8-pentaen-17-one. (-)-3-Menthoxyacetoxy-(+)-estra-1,3,5(10),6,8-pentaen-17-one. Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-. 3-Hydroxyestra-1,3,5(10)-triene-16,17-dione. 3-Hydroxy-17alpha-oxa-d-homoestra-1,3,5(10),6,8-pentaen-17-one. Estrone, benzoate. Estrone, formate. Gona-1,3,5(10)-trien-17-one, 3-methoxy-, (13«alpha»)-. Gona-1,3,5(10)-trien-17-one, 3-methoxy-.

Find more compounds similar to Equilenin.

Sources

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