Chemical Properties of 16-Epiestriol, tris(pentafluoropropionate)

16-Epiestriol, tris(pentafluoropropionate)

PDF Excel Molecule Calculator
InChI
InChI=1S/C27H21F15O6/c1-21-7-6-13-12-5-3-11(46-18(43)22(28,29)25(34,35)36)8-10(12)2-4-14(13)15(21)9-16(47-19(44)23(30,31)26(37,38)39)17(21)48-20(45)24(32,33)27(40,41)42/h3,5,8,13-17H,2,4,6-7,9H2,1H3
InChI Key
WNINQNBIZUYHQT-UHFFFAOYSA-N
Formula
C27H21F15O6
SMILES
CC12CCC3c4ccc(OC(=O)C(F)(F)C(F)(F)F)cc4CCC3C1CC(OC(=O)C(F)(F)C(F)(F)F)C2OC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
726.43
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -3207.83 kJ/mol Joback Calculated Property
Δfgas -3955.27 kJ/mol Joback Calculated Property
Δfus 56.15 kJ/mol Joback Calculated Property
Δvap 84.74 kJ/mol Joback Calculated Property
log10WS -9.47 Crippen Calculated Property
logPoct/wat 7.474 Crippen Calculated Property
McVol 383.820 ml/mol McGowan Calculated Property
Pc 795.28 kPa Joback Calculated Property
Inp [2454.60; 2454.60]   Show Hide
Inp 2454.60 NIST
Inp 2454.60 NIST
Tboil 1067.33 K Joback Calculated Property
Tc 1318.48 K Joback Calculated Property
Tfus 743.32 K Joback Calculated Property
Vc 1.565 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1431.31; 1600.40] J/mol×K [1067.33; 1318.48] Show Hide
Cp,gas 1431.31 J/mol×K 1067.33 Joback Calculated Property
Cp,gas 1454.72 J/mol×K 1109.19 Joback Calculated Property
Cp,gas 1479.42 J/mol×K 1151.05 Joback Calculated Property
Cp,gas 1505.87 J/mol×K 1192.91 Joback Calculated Property
Cp,gas 1534.53 J/mol×K 1234.77 Joback Calculated Property
Cp,gas 1565.89 J/mol×K 1276.62 Joback Calculated Property
Cp,gas 1600.40 J/mol×K 1318.48 Joback Calculated Property

Similar Compounds

Estriol, tris(pentafluoropropionate). Ethinylestradiol, HFB. Estradiol, HFB. 16-epi-Oestriol, TFA. Estriol, tris(trifluoroacetate). 16-Epiestriol, tris(trifluoroacetate). Estriol, TFA. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-non-deriv-16,17-PFP. Estradiol dipropionate. Estradiol dipropionate. Acetyldihydrocodeine. Hydrocodone. Hydrastine. Methyldihydromorphine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.