Chemical Properties of Estriol, trimethyl ether

Estriol, trimethyl ether

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InChI
InChI=1S/C21H30O3/c1-21-10-9-16-15-8-6-14(22-2)11-13(15)5-7-17(16)18(21)12-19(23-3)20(21)24-4/h6,8,11,16-20H,5,7,9-10,12H2,1-4H3
InChI Key
QIOWNWWZXNWWMP-UHFFFAOYSA-N
Formula
C21H30O3
SMILES
COc1ccc2c(c1)CCC1C3CC(OC)C(OC)C3(C)CCC21
Molecular Weight1
330.46
Other Names
  • (16«alpha»,17«beta»)-3,16,17-Trimethoxyestra-1(10),2,4-triene
Sources

Physical Properties

Property Value Unit Source
Δf 33.52 kJ/mol Joback Calculated Property
Δfgas -499.54 kJ/mol Joback Calculated Property
Δfus 34.09 kJ/mol Joback Calculated Property
Δvap 71.17 kJ/mol Joback Calculated Property
logPoct/wat 4.19 Crippen Calculated Property
Pc 1481.57 kPa Joback Calculated Property
Tboil 798.77 K Joback Calculated Property
Tc 1024.65 K Joback Calculated Property
Tfus 502.54 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 888.83 J/mol×K 798.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
=CH- (ring) 3
=C< (ring) 3
>C< (ring) 1
-CH3 4
>CH- (ring) 5
-CH2- (ring) 5

Similar Compounds

Estra-1,3,5(10)-triene, 3,17-dimethoxy-, (17.beta.)-. 1,3,5(10)-Oestratrien-17«alpha»-ol, 3-methoxy. Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-. (17«alpha»)-3-Methoxyestra-1,3,5(10)-trien-17-ol. Epiestriol. Estriol. 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol. Estra-1,3,5(10)-triene-16beta-ylacetic acid lactone, 17beta-hydroxy-3-methoxy-. 3,17Beta-diacetoxyestra-1,3,5(10)-triene. 3'-(3-Methoxy-1,3,5(10)-estratrien-16beta-yl)propiono-1',17beta-lactone. Estradiol dipropionate. Estradiol dipropionate. 17.beta.-Oestradiol, 3-methoxy, TFA. Estra-1,3,5(10)-trien-3-ol, 16,17-epoxy-, (16«beta»,17«beta»)-. 17.beta.-Oestradiol, 3-methoxy, TMS.

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