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_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).
• 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	[962.08; 1146.03]	J/mol×K	[803.33; 1037.12]
Cp,gas	962.08	J/mol×K	803.33	Joback Calculated Property
Cp,gas	990.15	J/mol×K	842.30	Joback Calculated Property
Cp,gas	1018.60	J/mol×K	881.26	Joback Calculated Property
Cp,gas	1047.91	J/mol×K	920.23	Joback Calculated Property
Cp,gas	1078.58	J/mol×K	959.19	Joback Calculated Property
Cp,gas	1111.13	J/mol×K	998.16	Joback Calculated Property
Cp,gas	1146.03	J/mol×K	1037.12	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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