Chemical Properties of 3-Oxoandrost-4-ene-17B-carboxaldehyde, 3,20-diMO

InChI

InChI=1S/C22H34N2O2/c1-21-11-9-17(24-26-4)13-15(21)5-7-18-19-8-6-16(14-23-25-3)22(19,2)12-10-20(18)21/h13-14,16,18-20H,5-12H2,1-4H3/b23-14+,24-17+/t16-,18?,19?,20?,21+,22-/m0/s1

InChI Key

SWIRRSJJIZIZFT-LUMBAORHSA-N

Formula

C22H34N2O2

SMILES

CON=CC1CCC2C3CCC4=CC(=NOC)CCC4(C)C3CCC12C

Molecular Weight¹

358.52

• 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	-342.09	kJ/mol	Joback Calculated Property
ΔvapH°	75.39	kJ/mol	Joback Calculated Property
log10WS	-5.50		Crippen Calculated Property
logPoct/wat	5.200		Crippen Calculated Property
McVol	296.200	ml/mol	McGowan Calculated Property
Pc	1183.34	kPa	Joback Calculated Property
Inp	[2750.00; 2750.00]
Inp	2750.00		NIST
Inp	2750.00		NIST
Tboil	947.03	K	Joback Calculated Property
Tc	1194.38	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Oxoandrost-4-ene-17B-carboxaldehyde, 3,20-diMO.

Sources

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

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