Chemical Properties of Ethinylestradiol, HFB

Ethinylestradiol, HFB

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InChI
InChI=1S/C28H22F14O4/c1-3-22(46-20(44)24(31,32)26(35,36)28(40,41)42)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-21(18,22)2)45-19(43)23(29,30)25(33,34)27(37,38)39/h1,5,7,12,16-18H,4,6,8-11H2,2H3/t16?,17?,18?,21-,22-/m1/s1
InChI Key
JXDGOQVCSYQGEA-VUTDOMMHSA-N
Formula
C28H22F14O4
SMILES
C#CC1(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2C3CCc4cc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc4C3CCC21C
Molecular Weight1
688.45

Physical Properties

Property Value Unit Source
Δf -2545.39 kJ/mol Joback Calculated Property
Δfgas -3207.52 kJ/mol Joback Calculated Property
Δfus 48.48 kJ/mol Joback Calculated Property
Δvap 77.64 kJ/mol Joback Calculated Property
log10WS -10.36 Crippen Calculated Property
logPoct/wat 8.029 Crippen Calculated Property
McVol 380.100 ml/mol McGowan Calculated Property
Pc 856.47 kPa Joback Calculated Property
Inp [2587.00; 2587.00]   Show Hide
Inp 2587.00 NIST
Inp 2587.00 NIST
Tboil 1009.68 K Joback Calculated Property
Tc 1236.43 K Joback Calculated Property
Tfus 756.95 K Joback Calculated Property
Vc 1.540 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1381.71; 1581.79] J/mol×K [1009.68; 1236.43] Show Hide
Cp,gas 1381.71 J/mol×K 1009.68 Joback Calculated Property
Cp,gas 1408.30 J/mol×K 1047.47 Joback Calculated Property
Cp,gas 1436.96 J/mol×K 1085.26 Joback Calculated Property
Cp,gas 1468.16 J/mol×K 1123.05 Joback Calculated Property
Cp,gas 1502.38 J/mol×K 1160.85 Joback Calculated Property
Cp,gas 1540.10 J/mol×K 1198.64 Joback Calculated Property
Cp,gas 1581.79 J/mol×K 1236.43 Joback Calculated Property

Similar Compounds

Estradiol, HFB. 16-Epiestriol, tris(pentafluoropropionate). Estriol, tris(pentafluoropropionate). 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-TMS-17-HFB. 1,3,5(10)-Oestratriene-3,17«alpha»-diol, 3-TMS-17-HFB. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-TBDMS-17-HFB. Estradiol dipropionate. Estradiol dipropionate. Estra-1,3,5(10)-triene-16beta-ylacetic acid lactone, 17beta-hydroxy-3-methoxy-. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB. Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, bis(trifluoroacetate). Estradiol, TFA. «alpha»-Estradiol, bis(trifluoroacetate). Hydromorphone. Methyldihydromorphine.

Find more compounds similar to Ethinylestradiol, HFB.

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