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

17«alpha»-ethynylestradiol, 3-butyrate

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InChI
InChI=1S/C24H30O3/c1-4-6-22(25)27-17-8-10-18-16(15-17)7-9-20-19(18)11-13-23(3)21(20)12-14-24(23,26)5-2/h2,8,10,15,19-21,26H,4,6-7,9,11-14H2,1,3H3
InChI Key
FIPNBJWTSLURCK-UHFFFAOYSA-N
Formula
C24H30O3
SMILES
C#CC1(O)CCC2C3CCc4cc(OC(=O)CCC)ccc4C3CCC21C
Molecular Weight1
366.49
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Physical Properties

Property Value Unit Source
Δf 228.33 kJ/mol Joback Calculated Property
Δfgas -234.35 kJ/mol Joback Calculated Property
Δfus 40.78 kJ/mol Joback Calculated Property
Δvap 95.47 kJ/mol Joback Calculated Property
log10WS -6.51 Crippen Calculated Property
logPoct/wat 4.613 Crippen Calculated Property
McVol 297.390 ml/mol McGowan Calculated Property
Pc 1637.78 kPa Joback Calculated Property
Inp 2522.00 NIST
Tboil 963.65 K Joback Calculated Property
Tc 1197.65 K Joback Calculated Property
Tfus 677.75 K Joback Calculated Property
Vc 1.125 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1047.89; 1229.04] J/mol×K [963.65; 1197.65] Show Hide
Cp,gas 1047.89 J/mol×K 963.65 Joback Calculated Property
Cp,gas 1073.97 J/mol×K 1002.65 Joback Calculated Property
Cp,gas 1101.22 J/mol×K 1041.65 Joback Calculated Property
Cp,gas 1129.99 J/mol×K 1080.65 Joback Calculated Property
Cp,gas 1160.66 J/mol×K 1119.65 Joback Calculated Property
Cp,gas 1193.55 J/mol×K 1158.65 Joback Calculated Property
Cp,gas 1229.04 J/mol×K 1197.65 Joback Calculated Property

Similar Compounds

17«alpha»-ethynylestradiol, 3-propionate. 17«alpha»-ethynylestradiol, 3-acetate. Estradiol dipropionate. Estradiol dipropionate. Mestranol. 16-Epiestriol, tris(pentafluoropropionate). Estriol, tris(pentafluoropropionate). 17«alpha»-ethynylestradiol, 3-formate. Ethinylestradiol, HFB. Estradiol, HFB. 17«alpha»-Ethynylestradiol, 3-(tert-butyldimethylsilyl) ether. Estra-1,3,5(10)-triene-16beta-ylacetic acid lactone, 17beta-hydroxy-3-methoxy-. 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol. Methyldihydromorphine. Hydromorphone.

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

Sources

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