Chemical Properties of 3,17-Dimethoxypregna-2,4-dien-20-one

InChI

InChI=1S/C23H34O3/c1-15(24)23(26-5)13-10-20-18-7-6-16-14-17(25-4)8-11-21(16,2)19(18)9-12-22(20,23)3/h8,14,18-20H,6-7,9-13H2,1-5H3

InChI Key

WGMORNSWMKZSGW-UHFFFAOYSA-N

Formula

C23H34O3

SMILES

COC1=CCC2(C)C(=C1)CCC1C2CCC2(C)C1CCC2(OC)C(C)=O

Molecular Weight¹

358.51

• 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°	-4.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-537.01	kJ/mol	Joback Calculated Property
ΔfusH°	26.26	kJ/mol	Joback Calculated Property
ΔvapH°	76.71	kJ/mol	Joback Calculated Property
log10WS	-5.59		Crippen Calculated Property
logPoct/wat	5.064		Crippen Calculated Property
McVol	296.200	ml/mol	McGowan Calculated Property
Pc	1433.72	kPa	Joback Calculated Property
Inp	[2959.60; 2959.60]
Inp	2959.60		NIST
Inp	2959.60		NIST
Tboil	872.32	K	Joback Calculated Property
Tc	1110.16	K	Joback Calculated Property
Tfus	587.30	K	Joback Calculated Property
Vc	1.117	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1029.14; 1225.52]	J/mol×K	[872.32; 1110.16]
Cp,gas	1029.14	J/mol×K	872.32	Joback Calculated Property
Cp,gas	1058.14	J/mol×K	911.96	Joback Calculated Property
Cp,gas	1088.04	J/mol×K	951.60	Joback Calculated Property
Cp,gas	1119.28	J/mol×K	991.24	Joback Calculated Property
Cp,gas	1152.31	J/mol×K	1030.88	Joback Calculated Property
Cp,gas	1187.58	J/mol×K	1070.52	Joback Calculated Property
Cp,gas	1225.52	J/mol×K	1110.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,17-Dimethoxypregna-2,4-dien-20-one.

Sources

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

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