Chemical Properties of Estradiol, TFA

Estradiol, TFA

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InChI
InChI=1S/C22H22F6O4/c1-20-9-8-14-13-5-3-12(31-18(29)21(23,24)25)10-11(13)2-4-15(14)16(20)6-7-17(20)32-19(30)22(26,27)28/h3,5,10,14-17H,2,4,6-9H2,1H3/t14?,15?,16?,17-,20-/m1/s1
InChI Key
GBPADILCVOCPSX-ZMNCYOANSA-N
Formula
C22H22F6O4
SMILES
CC12CCC3c4ccc(OC(=O)C(F)(F)F)cc4CCC3C1CCC2OC(=O)C(F)(F)F
Molecular Weight1
464.40
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Physical Properties

Property Value Unit Source
Δf -1266.37 kJ/mol Joback Calculated Property
Δfgas -1786.94 kJ/mol Joback Calculated Property
Δfus 41.27 kJ/mol Joback Calculated Property
Δvap 77.30 kJ/mol Joback Calculated Property
log10WS -6.80 Crippen Calculated Property
logPoct/wat 5.484 Crippen Calculated Property
McVol 290.000 ml/mol McGowan Calculated Property
Pc 1322.31 kPa Joback Calculated Property
Inp 2353.00 NIST
Tboil 900.80 K Joback Calculated Property
Tc 1116.03 K Joback Calculated Property
Tfus 604.06 K Joback Calculated Property
Vc 1.145 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1004.36; 1112.01] J/mol×K [900.80; 1116.03] Show Hide
Cp,gas 1004.36 J/mol×K 900.80 Joback Calculated Property
Cp,gas 1022.36 J/mol×K 936.67 Joback Calculated Property
Cp,gas 1040.07 J/mol×K 972.54 Joback Calculated Property
Cp,gas 1057.67 J/mol×K 1008.42 Joback Calculated Property
Cp,gas 1075.39 J/mol×K 1044.29 Joback Calculated Property
Cp,gas 1093.44 J/mol×K 1080.16 Joback Calculated Property
Cp,gas 1112.01 J/mol×K 1116.03 Joback Calculated Property

Similar Compounds

Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, bis(trifluoroacetate). «alpha»-Estradiol, bis(trifluoroacetate). 17«beta»-Oestradiol, 3-methoxy, TFA. Estradiol, diacetate. Estriol, tris(trifluoroacetate). 16-epi-Oestriol, TFA. Estradiol, HFB. Estriol, TFA. 16-Epiestriol, tris(trifluoroacetate). .beta.-Estradiol, dimethyl ether. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-TMS-17-PFP. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB. Estra-1,3,5(10)-triene-16beta-ylacetic acid lactone, 17beta-hydroxy-3-methoxy-. 3'-(3-Methoxy-1,3,5(10)-estratrien-16beta-yl)propiono-1',17beta-lactone. Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-.

Find more compounds similar to Estradiol, TFA.

Sources

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