Chemical Properties of Estra-1,3,5(10),6-tetraene-3,17beta-diol

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3

InChI Key

VVLCELUSWGWMSW-UHFFFAOYSA-N

Formula

C18H22O2

SMILES

CC12CCC3c4ccc(O)cc4C=CC3C1CCC2O

Molecular Weight¹

270.37

Other Names

• Estra-1,3,5(10),6-tetraene-3,17«beta»-diol
• Estra-1,3,5(10),6-tetraene-3,17beta-diol

• 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).
• 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	[720.68; 837.17]	J/mol×K	[834.52; 1070.72]
Cp,gas	720.68	J/mol×K	834.52	Joback Calculated Property
Cp,gas	739.13	J/mol×K	873.89	Joback Calculated Property
Cp,gas	757.56	J/mol×K	913.25	Joback Calculated Property
Cp,gas	776.28	J/mol×K	952.62	Joback Calculated Property
Cp,gas	795.58	J/mol×K	991.98	Joback Calculated Property
Cp,gas	815.78	J/mol×K	1031.35	Joback Calculated Property
Cp,gas	837.17	J/mol×K	1070.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Estra-1,3,5(10),6-tetraene-3,17beta-diol.

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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