Chemical Properties of 3Alpha,5alpha-cyclo-17alpha-pregnan-20-one, 6beta-methoxy-

InChI

InChI=1S/C22H34O2/c1-13(23)16-5-6-17-15-11-19(24-4)22-12-14(22)7-10-21(22,3)18(15)8-9-20(16,17)2/h14-19H,5-12H2,1-4H3

InChI Key

PJHBKOQWGPXVAP-UHFFFAOYSA-N

Formula

C22H34O2

SMILES

COC1CC2C3CCC(C(C)=O)C3(C)CCC2C2(C)CCC3CC312

Molecular Weight¹

330.50

• 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	[962.22; 1146.27]	J/mol×K	[803.53; 1037.38]
Cp,gas	962.22	J/mol×K	803.53	Joback Calculated Property
Cp,gas	990.30	J/mol×K	842.51	Joback Calculated Property
Cp,gas	1018.76	J/mol×K	881.48	Joback Calculated Property
Cp,gas	1048.08	J/mol×K	920.46	Joback Calculated Property
Cp,gas	1078.78	J/mol×K	959.43	Joback Calculated Property
Cp,gas	1111.34	J/mol×K	998.41	Joback Calculated Property
Cp,gas	1146.27	J/mol×K	1037.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3Alpha,5alpha-cyclo-17alpha-pregnan-20-one, 6beta-methoxy-.

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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