Chemical Properties of trans-Dehydroandrosterone, methyl ether

InChI

InChI=1S/C20H30O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,14-17H,5-12H2,1-3H3

InChI Key

FLCAHAJJOOEIKL-UHFFFAOYSA-N

Formula

C20H30O2

SMILES

COC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1

Molecular Weight¹

302.45

Other Names

• (3«beta»)-3-Methoxyandrost-5-en-17-one

• 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°	66.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-429.54	kJ/mol	Joback Calculated Property
ΔfusH°	20.67	kJ/mol	Joback Calculated Property
ΔvapH°	65.32	kJ/mol	Joback Calculated Property
log10WS	-4.90		Crippen Calculated Property
logPoct/wat	4.533		Crippen Calculated Property
McVol	252.360	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[2544.60; 2544.60]
Inp	2544.60		NIST
Inp	2544.60		NIST
Tboil	790.83	K	Joback Calculated Property
Tc	1038.60	K	Joback Calculated Property
Tfus	512.37	K	Joback Calculated Property
Vc	0.949	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[856.43; 1015.94]	J/mol×K	[790.83; 1038.60]
Cp,gas	856.43	J/mol×K	790.83	Joback Calculated Property
Cp,gas	883.31	J/mol×K	832.12	Joback Calculated Property
Cp,gas	909.62	J/mol×K	873.42	Joback Calculated Property
Cp,gas	935.68	J/mol×K	914.71	Joback Calculated Property
Cp,gas	961.86	J/mol×K	956.01	Joback Calculated Property
Cp,gas	988.50	J/mol×K	997.30	Joback Calculated Property
Cp,gas	1015.94	J/mol×K	1038.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Dehydroandrosterone, methyl ether.

Sources

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

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