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

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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
328.40
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Physical Properties

Property Value Unit Source
ΔfG° -87.11 kJ/mol Joback Calculated Property
ΔfH°gas -556.06 kJ/mol Joback Calculated Property
ΔfusH° 36.07 kJ/mol Joback Calculated Property
ΔvapH° 80.25 kJ/mol Joback Calculated Property
log10WS -4.81 Crippen Calculated Property
logPoct/wat 3.625 Crippen Calculated Property
McVol 251.200 ml/mol McGowan Calculated Property
Pc 1869.17 kPa Joback Calculated Property
Tboil 889.03 K Joback Calculated Property
Tc 1135.54 K Joback Calculated Property
Tfus 600.01 K Joback Calculated Property
Vc 0.952 m3/kmol Joback Calculated Property

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

Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Benazepril Me. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. azadirachtin. Tetrahydrocannabinol. Acenaphthene-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Paclitaxel. Deserpidine. Ergotamine. Ergocristine. Codeine-propionyl. Ethylmorphine, trimethylsilyl ether. Galantamin.

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

Sources

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