Chemical Properties of Canrenone (CAS 976-71-6)

InChI

InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3

InChI Key

UJVLDDZCTMKXJK-UHFFFAOYSA-N

Formula

C22H28O3

SMILES

CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1

Molecular Weight¹

340.46

CAS

976-71-6

Other Names

• Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, «gamma»-lactone, (17«alpha»)-
• 17«alpha»-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, «gamma»-lactone
• Aldadiene
• Canrenon
• Phanurane
• Spirolactone SC 14266
• SC 9376
• RP 11641
• 17«alpha»-(2-Carboxyethyl)-17«beta»-hydroxyandrosta-4,6-dien-3-one lactone
• 17-Hydroxy-3-oxo-17«alpha»-pregna-4,6-diene-21-carboxylic acid «gamma»-lactone
• Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan], pregna-4,6-diene-21-carboxylic acid deriv.
• 20-Spiroxa-4,6-diene-3,21-dione
• 11614 R.P.
• 17-Hydroxy-3-oxo-17«alpha»-pregna-4,6-diene-21-carboxylic acid lactone
• NSC 261713

• 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	[987.53; 1238.40]	J/mol×K	[924.02; 1202.24]
Cp,gas	987.53	J/mol×K	924.02	Joback Calculated Property
Cp,gas	1021.63	J/mol×K	970.39	Joback Calculated Property
Cp,gas	1057.87	J/mol×K	1016.76	Joback Calculated Property
Cp,gas	1096.96	J/mol×K	1063.13	Joback Calculated Property
Cp,gas	1139.61	J/mol×K	1109.50	Joback Calculated Property
Cp,gas	1186.52	J/mol×K	1155.87	Joback Calculated Property
Cp,gas	1238.40	J/mol×K	1202.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Canrenone.

Sources

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

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