Chemical Properties of 4-Pregnen-3,11-dione, MO

InChI

InChI=1S/C23H36N2O2/c1-6-15-8-10-19-18-9-7-16-13-17(24-26-4)11-12-22(16,2)21(18)20(25-27-5)14-23(15,19)3/h13,15,18-19,21H,6-12,14H2,1-5H3/b24-17+,25-20+/t15-,18?,19?,21?,22-,23+/m1/s1

InChI Key

RMSHLJBTFSFPCM-ZCPDDAHHSA-N

Formula

C23H36N2O2

SMILES

CCC1CCC2C3CCC4=CC(=NOC)CCC4(C)C3C(=NOC)CC12C

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	-403.92	kJ/mol	Joback Calculated Property
ΔvapH°	78.44	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	1092.10	kPa	Joback Calculated Property
Inp	[2655.00; 2655.00]
Inp	2655.00		NIST
Inp	2655.00		NIST
Tboil	972.39	K	Joback Calculated Property
Tc	1215.71	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Pregnen-3,11-dione, MO.

Sources

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

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