Chemical Properties of Estra-1,3,5(10)-triene-3,11,17-triol, (11«alpha»,17«beta»)- (CAS 1464-61-5)

InChI

InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3

InChI Key

IGPOPFXCSGWCLM-UHFFFAOYSA-N

Formula

C18H24O3

SMILES

CC12CC(O)C3c4ccc(O)cc4CCC3C1CCC2O

Molecular Weight¹

288.38

CAS

1464-61-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.84; 942.13]	J/mol×K	[922.87; 1147.96]
Cp,gas	816.84	J/mol×K	922.87	Joback Calculated Property
Cp,gas	835.77	J/mol×K	960.38	Joback Calculated Property
Cp,gas	855.14	J/mol×K	997.90	Joback Calculated Property
Cp,gas	875.20	J/mol×K	1035.41	Joback Calculated Property
Cp,gas	896.22	J/mol×K	1072.93	Joback Calculated Property
Cp,gas	918.44	J/mol×K	1110.44	Joback Calculated Property
Cp,gas	942.13	J/mol×K	1147.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Estra-1,3,5(10)-triene-3,11,17-triol, (11«alpha»,17«beta»)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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