Chemical Properties of D-Homoestra-1,3,5(10),6,8-pentaen-17a-one,3-methoxy-,(14«beta»)- (CAS 1232-91-3)

D-Homoestra-1,3,5(10),6,8-pentaen-17a-one,3-methoxy-,(14«beta»)-

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InChI
InChI=1S/C20H22O2/c1-20-10-9-17-16-7-5-15(22-2)11-13(16)3-6-18(17)19(20)8-4-14(21)12-20/h3,5-7,11,19H,4,8-10,12H2,1-2H3/t19-,20?/m0/s1
InChI Key
CDRSYMMICFCUFM-XJDOXCRVSA-N
Formula
C20H22O2
SMILES
COc1ccc2c3c(ccc2c1)C1CCC(=O)CC1(C)CC3
Molecular Weight1
294.39
CAS
1232-91-3
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Physical Properties

Property Value Unit Source
Δf 171.91 kJ/mol Joback Calculated Property
Δfgas -184.34 kJ/mol Joback Calculated Property
Δfus 23.92 kJ/mol Joback Calculated Property
Δvap 71.69 kJ/mol Joback Calculated Property
IE 7.82 ± 0.07 eV NIST
log10WS -5.89 Crippen Calculated Property
logPoct/wat 4.638 Crippen Calculated Property
McVol 235.160 ml/mol McGowan Calculated Property
Pc 2003.70 kPa Joback Calculated Property
Tboil 830.10 K Joback Calculated Property
Tc 1086.78 K Joback Calculated Property
Tfus 555.03 K Joback Calculated Property
Vc 0.890 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [741.35; 860.87] J/mol×K [830.10; 1086.78] Show Hide
Cp,gas 741.35 J/mol×K 830.10 Joback Calculated Property
Cp,gas 762.04 J/mol×K 872.88 Joback Calculated Property
Cp,gas 782.09 J/mol×K 915.66 Joback Calculated Property
Cp,gas 801.75 J/mol×K 958.44 Joback Calculated Property
Cp,gas 821.27 J/mol×K 1001.22 Joback Calculated Property
Cp,gas 840.89 J/mol×K 1044.00 Joback Calculated Property
Cp,gas 860.87 J/mol×K 1086.78 Joback Calculated Property

Similar Compounds

Equilenin. Estra-1,3,5,7,9-pentaen-17-one, 3-[(trimethylsilyl)oxy]-. Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-. Estrone, trifluoroacetate. Estrone, TFA. Estrone, formate. Estra-1,3,5(10)-trien-17-one, 3-methoxy-. Gona-1,3,5(10)-trien-17-one, 3-methoxy-, (13«alpha»)-. Gona-1,3,5(10)-trien-17-one, 3-methoxy-. 3-Acetoxy-17alpha-ethylestra-1,3,5(10),6,8-pentaen-17beta-ol. 3-(Pronanoyloxy)-estra-1,3,5(10)-trien-17-one. 3-Methoxy-17beta-formyl-1,3,5(10)-estratriene. Estrone. Estrone, pentafluoropropionate. 3-Hydroxyestra-1,3,5(10)-triene-16,17-dione.

Find more compounds similar to D-Homoestra-1,3,5(10),6,8-pentaen-17a-one,3-methoxy-,(14«beta»)-.

Sources

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