Chemical Properties of 3-Ethoxycarbonyl-17-oxaestra-1,3,5(10)-trien-16-one

3-Ethoxycarbonyl-17-oxaestra-1,3,5(10)-trien-16-one

InChI
InChI=1S/C20H24O4/c1-3-23-19(22)13-5-6-14-12(10-13)4-7-16-15(14)8-9-20(2)17(16)11-18(21)24-20/h5-6,10,15-17H,3-4,7-9,11H2,1-2H3
InChI Key
ISAOGXCREJVTNK-UHFFFAOYSA-N
Formula
C20H24O4
SMILES
CCOC(=O)c1ccc2c(c1)CCC1C2CCC2(C)OC(=O)CC12
Molecular Weight1
328.41
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Physical Properties

Property Value Unit Source
ΔfusH° 36.07 kJ/mol Joback Calculated Property
IE 8.64 eV Relay (1.0) Calculated Property
log10WS -4.70 Relay (1.0) Calculated Property
logPoct/wat 3.625 Crippen Calculated Property
McVol 251.200 ml/mol McGowan Calculated Property
Tfus 388.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [855.00; 974.96] J/mol×K [889.03; 1135.54] Show Hide
Cp,gas 855.00 J/mol×K 889.03 Joback Calculated Property
Cp,gas 875.57 J/mol×K 930.12 Joback Calculated Property
Cp,gas 895.61 J/mol×K 971.20 Joback Calculated Property
Cp,gas 915.36 J/mol×K 1012.29 Joback Calculated Property
Cp,gas 935.02 J/mol×K 1053.37 Joback Calculated Property
Cp,gas 954.81 J/mol×K 1094.46 Joback Calculated Property
Cp,gas 974.96 J/mol×K 1135.54 Joback Calculated Property

Similar Compounds

Benazepril Me. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. azadirachtin. Tetrahydrocannabinol. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Etorphine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). DIHYDROERGOKRYPTINE. Vincamine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Hydromorphone, trimethylsilyl ether. Neopine. 3-propionyl-morphine. Brucine.

Find more compounds similar to 3-Ethoxycarbonyl-17-oxaestra-1,3,5(10)-trien-16-one.

Sources

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