Chemical Properties of 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB

InChI

InChI=1S/C22H23F7O3/c1-19-9-8-14-13-5-3-12(30)10-11(13)2-4-15(14)16(19)6-7-17(19)32-18(31)20(23,24)21(25,26)22(27,28)29/h3,5,10,14-17,30H,2,4,6-9H2,1H3/t14-,15-,16+,17+,19+/m0/s1

InChI Key

CCRBPDNGXJRWRQ-DOEOUOAPSA-N

Formula

C22H23F7O3

SMILES

CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

468.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.87; 1147.90]	J/mol×K	[896.19; 1114.08]
Cp,gas	1024.87	J/mol×K	896.19	Joback Calculated Property
Cp,gas	1043.91	J/mol×K	932.51	Joback Calculated Property
Cp,gas	1063.14	J/mol×K	968.82	Joback Calculated Property
Cp,gas	1082.85	J/mol×K	1005.14	Joback Calculated Property
Cp,gas	1103.34	J/mol×K	1041.45	Joback Calculated Property
Cp,gas	1124.93	J/mol×K	1077.77	Joback Calculated Property
Cp,gas	1147.90	J/mol×K	1114.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-non-deriv-17-HFB.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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