Chemical Properties of Androst-4-ene-16beta-proionic acid, 17beta-hydroxy-3-oxo-, delta-lactone (CAS 96065-28-0)

InChI

InChI=1S/C22H30O3/c1-21-9-7-15(23)12-14(21)4-5-16-17(21)8-10-22(2)18(16)11-13-3-6-19(24)25-20(13)22/h12-13,16-18,20H,3-11H2,1-2H3

InChI Key

XUYYCWWWEACBMI-UHFFFAOYSA-N

Formula

C22H30O3

SMILES

CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CC1CCC(=O)OC12

Molecular Weight¹

342.47

CAS

96065-28-0

• 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	[1021.00; 1216.15]	J/mol×K	[919.95; 1187.87]
Cp,gas	1021.00	J/mol×K	919.95	Joback Calculated Property
Cp,gas	1051.04	J/mol×K	964.60	Joback Calculated Property
Cp,gas	1081.47	J/mol×K	1009.26	Joback Calculated Property
Cp,gas	1112.74	J/mol×K	1053.91	Joback Calculated Property
Cp,gas	1145.31	J/mol×K	1098.56	Joback Calculated Property
Cp,gas	1179.63	J/mol×K	1143.22	Joback Calculated Property
Cp,gas	1216.15	J/mol×K	1187.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Androst-4-ene-16beta-proionic 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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