Chemical Properties of Spiro[cyclopropane-1,6'-[17alpha]pregn-4'-ene]-21'-carboxylic acid, 17'beta-hydroxy-3'-oxo-, gamma-lactone (CAS 6987-59-3)

InChI

InChI=1S/C24H32O3/c1-21-7-3-15(25)13-19(21)23(11-12-23)14-16-17(21)4-8-22(2)18(16)5-9-24(22)10-6-20(26)27-24/h13,16-18H,3-12,14H2,1-2H3

InChI Key

VNSGXUPCNIQYMW-UHFFFAOYSA-N

Formula

C24H32O3

SMILES

CC12CCC(=O)C=C1C1(CC1)CC1C2CCC2(C)C1CCC21CCC(=O)O1

Molecular Weight¹

368.51

CAS

6987-59-3

• 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	[1138.65; 1507.64]	J/mol×K	[973.33; 1254.16]
Cp,gas	1138.65	J/mol×K	973.33	Joback Calculated Property
Cp,gas	1184.53	J/mol×K	1020.13	Joback Calculated Property
Cp,gas	1235.31	J/mol×K	1066.94	Joback Calculated Property
Cp,gas	1292.02	J/mol×K	1113.74	Joback Calculated Property
Cp,gas	1355.64	J/mol×K	1160.55	Joback Calculated Property
Cp,gas	1427.18	J/mol×K	1207.35	Joback Calculated Property
Cp,gas	1507.64	J/mol×K	1254.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spiro[cyclopropane-1,6'-[17alpha]pregn-4'-ene]-21'-carboxylic acid, 17'beta-hydroxy-3'-oxo-, gamma-lactone.

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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