Chemical Properties of 17«alpha»-ethynylestradiol, 3-formate

17«alpha»-ethynylestradiol, 3-formate

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InChI
InChI=1S/C21H24O3/c1-3-21(23)11-9-19-18-6-4-14-12-15(24-13-22)5-7-16(14)17(18)8-10-20(19,21)2/h1,5,7,12-13,17-19,23H,4,6,8-11H2,2H3
InChI Key
PJRWMJBAAOIMHI-UHFFFAOYSA-N
Formula
C21H24O3
SMILES
C#CC1(O)CCC2C3CCc4cc(OC=O)ccc4C3CCC21C
Molecular Weight1
324.41
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Physical Properties

Property Value Unit Source
Δf 232.47 kJ/mol Joback Calculated Property
Δfgas -145.43 kJ/mol Joback Calculated Property
Δfus 33.70 kJ/mol Joback Calculated Property
Δvap 88.77 kJ/mol Joback Calculated Property
log10WS -5.25 Crippen Calculated Property
logPoct/wat 3.442 Crippen Calculated Property
McVol 255.120 ml/mol McGowan Calculated Property
Pc 2119.73 kPa Joback Calculated Property
Inp [2387.00; 2387.00]   Show Hide
Inp 2387.00 NIST
Inp 2387.00 NIST
Tboil 889.80 K Joback Calculated Property
Tc 1125.71 K Joback Calculated Property
Tfus 636.01 K Joback Calculated Property
Vc 0.969 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [855.56; 1005.30] J/mol×K [889.80; 1125.71] Show Hide
Cp,gas 855.56 J/mol×K 889.80 Joback Calculated Property
Cp,gas 877.50 J/mol×K 929.12 Joback Calculated Property
Cp,gas 900.17 J/mol×K 968.44 Joback Calculated Property
Cp,gas 923.94 J/mol×K 1007.76 Joback Calculated Property
Cp,gas 949.15 J/mol×K 1047.08 Joback Calculated Property
Cp,gas 976.16 J/mol×K 1086.39 Joback Calculated Property
Cp,gas 1005.30 J/mol×K 1125.71 Joback Calculated Property

Similar Compounds

Mestranol. 17«alpha»-ethynylestradiol, 3-acetate. 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol. 17«alpha»-ethynylestradiol, 3-propionate. Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-. 1,3,5(10)-Oestratrien-17«alpha»-ol, 3-methoxy. 17«alpha»-ethynylestradiol, 3-butyrate. Ethinyl Estradiol. 17«alpha»-Ethynylestradiol, 3-(tert-butyldimethylsilyl) ether. Estriol, TFA. 16-Epiestriol, tris(trifluoroacetate). 16-epi-Oestriol, TFA. Estriol, tris(trifluoroacetate). 17«beta»-Oestradiol, 3-methoxy, TFA. Estradiol, TFA.

Find more compounds similar to 17«alpha»-ethynylestradiol, 3-formate.

Sources

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