Chemical Properties of 4-Pregnen-3,20-dione, MO

InChI

InChI=1S/C23H36N2O2/c1-15(24-26-4)19-8-9-20-18-7-6-16-14-17(25-27-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h14,18-21H,6-13H2,1-5H3/t18?,19-,20?,21?,22+,23-/m0/s1

InChI Key

WCBFSBXYZBTGBQ-JYVPLEQZSA-N

Formula

C23H36N2O2

SMILES

CON=C1C=C2CCC3C(CCC4(C)C(C(C)=NOC)CCC34)C2(C)CC1

Molecular Weight¹

372.54

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-372.52	kJ/mol	Joback Calculated Property
ΔvapH°	77.70	kJ/mol	Joback Calculated Property
log10WS	-5.92		Crippen Calculated Property
logPoct/wat	5.590		Crippen Calculated Property
McVol	310.290	ml/mol	McGowan Calculated Property
Pc	1112.59	kPa	Joback Calculated Property
Inp	[2765.00; 2800.00]
Inp	2800.00		NIST
Inp	2765.00		NIST
Tboil	969.79	K	Joback Calculated Property
Tc	1217.22	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Pregnen-3,20-dione, MO.

Sources

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

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