Chemical Properties of 5«beta»-Pregn-8-ene-3«alpha»-ol-20-one

InChI

InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-15,17-18,23H,4-12H2,1-3H3/t14-,15-,17?,18?,20?,21?/m0/s1

InChI Key

KOMQIFOLNCGLSW-SFRSKELPSA-N

Formula

C21H32O2

SMILES

CC(=O)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1CC3

Molecular Weight¹

316.48

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	27.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.54	kJ/mol	Joback Calculated Property
ΔfusH°	27.86	kJ/mol	Joback Calculated Property
ΔvapH°	84.97	kJ/mol	Joback Calculated Property
log10WS	-5.49		Crippen Calculated Property
logPoct/wat	4.659		Crippen Calculated Property
McVol	266.450	ml/mol	McGowan Calculated Property
Pc	1730.34	kPa	Joback Calculated Property
Inp	[2705.00; 2705.00]
Inp	2705.00		NIST
Inp	2705.00		NIST
Tboil	874.50	K	Joback Calculated Property
Tc	1101.93	K	Joback Calculated Property
Tfus	556.46	K	Joback Calculated Property
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[946.41; 1103.57]	J/mol×K	[874.50; 1101.93]
Cp,gas	946.41	J/mol×K	874.50	Joback Calculated Property
Cp,gas	970.83	J/mol×K	912.40	Joback Calculated Property
Cp,gas	995.53	J/mol×K	950.31	Joback Calculated Property
Cp,gas	1020.83	J/mol×K	988.21	Joback Calculated Property
Cp,gas	1047.06	J/mol×K	1026.12	Joback Calculated Property
Cp,gas	1074.53	J/mol×K	1064.02	Joback Calculated Property
Cp,gas	1103.57	J/mol×K	1101.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»-Pregn-8-ene-3«alpha»-ol-20-one.

Sources

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

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