Chemical Properties of 20«beta»,21-Dihydroxypregn-4-en-3-one, 20,21-acetonide

InChI

InChI=1S/C24H36O3/c1-22(2)26-14-21(27-22)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,3)19(17)10-12-24(18,20)4/h13,17-21H,5-12,14H2,1-4H3/t17-,18-,19-,20+,21+,23?,24-/m1/s1

InChI Key

LIVZAOOCWISZFK-LGYJOKLQSA-N

Formula

C24H36O3

SMILES

CC1(C)OCC(C2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)O1

Molecular Weight¹

372.54

• 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°	56.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-588.50	kJ/mol	Joback Calculated Property
ΔfusH°	34.51	kJ/mol	Joback Calculated Property
ΔvapH°	79.63	kJ/mol	Joback Calculated Property
log10WS	-5.92		Crippen Calculated Property
logPoct/wat	5.286		Crippen Calculated Property
McVol	303.730	ml/mol	McGowan Calculated Property
Pc	1453.46	kPa	Joback Calculated Property
Inp	[2890.00; 2890.00]
Inp	2890.00		NIST
Inp	2890.00		NIST
Tboil	924.68	K	Joback Calculated Property
Tc	1185.57	K	Joback Calculated Property
Tfus	618.92	K	Joback Calculated Property
Vc	1.135	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1152.02; 1400.03]	J/mol×K	[924.68; 1185.57]
Cp,gas	1152.02	J/mol×K	924.68	Joback Calculated Property
Cp,gas	1187.52	J/mol×K	968.16	Joback Calculated Property
Cp,gas	1224.55	J/mol×K	1011.64	Joback Calculated Property
Cp,gas	1263.72	J/mol×K	1055.13	Joback Calculated Property
Cp,gas	1305.62	J/mol×K	1098.61	Joback Calculated Property
Cp,gas	1350.85	J/mol×K	1142.09	Joback Calculated Property
Cp,gas	1400.03	J/mol×K	1185.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 20«beta»,21-Dihydroxypregn-4-en-3-one, 20,21-acetonide.

Sources

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

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