Chemical Properties of 16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate (CAS 1434-62-4)

InChI

InChI=1S/C24H34O5/c1-13(25)21-18(22(27)28)12-20-17-6-5-15-11-16(29-14(2)26)7-9-23(15,3)19(17)8-10-24(20,21)4/h5,16-21H,6-12H2,1-4H3,(H,27,28)

InChI Key

VCRJNQOFXWUBMO-UHFFFAOYSA-N

Formula

C24H34O5

SMILES

CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC(C(=O)O)C2C(C)=O)C1

Molecular Weight¹

402.52

CAS

1434-62-4

• 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	[1229.06; 1438.03]	J/mol×K	[1040.57; 1285.81]
Cp,gas	1229.06	J/mol×K	1040.57	Joback Calculated Property
Cp,gas	1259.11	J/mol×K	1081.44	Joback Calculated Property
Cp,gas	1290.56	J/mol×K	1122.32	Joback Calculated Property
Cp,gas	1323.78	J/mol×K	1163.19	Joback Calculated Property
Cp,gas	1359.18	J/mol×K	1204.06	Joback Calculated Property
Cp,gas	1397.13	J/mol×K	1244.94	Joback Calculated Property
Cp,gas	1438.03	J/mol×K	1285.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate.

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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