Chemical Properties of 16-Epiestriol, tris(trifluoroacetate)

16-Epiestriol, tris(trifluoroacetate)

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InChI
InChI=1S/C24H21F9O6/c1-21-7-6-13-12-5-3-11(37-18(34)22(25,26)27)8-10(12)2-4-14(13)15(21)9-16(38-19(35)23(28,29)30)17(21)39-20(36)24(31,32)33/h3,5,8,13-17H,2,4,6-7,9H2,1H3
InChI Key
WWJXNFAAIBBBGC-UHFFFAOYSA-N
Formula
C24H21F9O6
SMILES
CC12CCC3c4ccc(OC(=O)C(F)(F)F)cc4CCC3C1CC(OC(=O)C(F)(F)F)C2OC(=O)C(F)(F)F
Molecular Weight1
576.41
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Physical Properties

Property Value Unit Source
Δf -2072.75 kJ/mol Joback Calculated Property
Δfgas -2690.44 kJ/mol Joback Calculated Property
Δfus 52.14 kJ/mol Joback Calculated Property
Δvap 86.85 kJ/mol Joback Calculated Property
log10WS -7.27 Crippen Calculated Property
logPoct/wat 5.568 Crippen Calculated Property
McVol 330.930 ml/mol McGowan Calculated Property
Pc 1078.51 kPa Joback Calculated Property
Inp 2457.10 NIST
Tboil 1012.76 K Joback Calculated Property
Tc 1239.90 K Joback Calculated Property
Tfus 698.71 K Joback Calculated Property
Vc 1.323 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1199.91; 1320.00] J/mol×K [1012.76; 1239.90] Show Hide
Cp,gas 1199.91 J/mol×K 1012.76 Joback Calculated Property
Cp,gas 1218.65 J/mol×K 1050.62 Joback Calculated Property
Cp,gas 1237.57 J/mol×K 1088.47 Joback Calculated Property
Cp,gas 1256.91 J/mol×K 1126.33 Joback Calculated Property
Cp,gas 1276.93 J/mol×K 1164.19 Joback Calculated Property
Cp,gas 1297.87 J/mol×K 1202.05 Joback Calculated Property
Cp,gas 1320.00 J/mol×K 1239.90 Joback Calculated Property

Similar Compounds

Estriol, TFA. 16-epi-Oestriol, TFA. Estriol, tris(trifluoroacetate). Estriol, tris(pentafluoropropionate). 16-Epiestriol, tris(pentafluoropropionate). Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-, bis(trifluoroacetate). «alpha»-Estradiol, bis(trifluoroacetate). Estradiol, TFA. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-non-deriv-16,17-PFP. 17«beta»-Oestradiol, 3-methoxy, TFA. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TMS-16,17-PFP. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-TMS-17-PFP. Estriol, trimethyl ether. Estradiol, diacetate. 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-TMS-17-HFB.

Find more compounds similar to 16-Epiestriol, tris(trifluoroacetate).

Sources

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