Chemical Properties of Estr-4-ene-16beta-propionic acid, 17beta-hydroxy-3-oxo-, delta-lactone (CAS 94962-51-3)

InChI

InChI=1S/C21H28O3/c1-21-9-8-16-15-6-4-14(22)10-12(15)2-5-17(16)18(21)11-13-3-7-19(23)24-20(13)21/h10,13,15-18,20H,2-9,11H2,1H3

InChI Key

RKOYUTWZQGBFLZ-UHFFFAOYSA-N

Formula

C21H28O3

SMILES

CC12CCC3C4CCC(=O)C=C4CCC3C1CC1CCC(=O)OC12

Molecular Weight¹

328.45

CAS

94962-51-3

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[957.94; 1102.27]	J/mol×K	[896.83; 1161.84]
Cp,gas	957.94	J/mol×K	896.83	Joback Calculated Property
Cp,gas	983.51	J/mol×K	941.00	Joback Calculated Property
Cp,gas	1008.10	J/mol×K	985.17	Joback Calculated Property
Cp,gas	1031.99	J/mol×K	1029.34	Joback Calculated Property
Cp,gas	1055.47	J/mol×K	1073.50	Joback Calculated Property
Cp,gas	1078.80	J/mol×K	1117.67	Joback Calculated Property
Cp,gas	1102.27	J/mol×K	1161.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Estr-4-ene-16beta-propionic acid, 17beta-hydroxy-3-oxo-, delta-lactone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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