Chemical Properties of trans-Androsterone, methyl ether

InChI

InChI=1S/C20H32O2/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/h13-17H,4-12H2,1-3H3

InChI Key

OZUIPNMWFGWFOM-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

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

Molecular Weight¹

304.47

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4732		Relay (1.0) Calculated Property
ΔfG°	38.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.91	kJ/mol	Joback Calculated Property
ΔvapH°	93.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	4.613		Crippen Calculated Property
McVol	256.660	ml/mol	McGowan Calculated Property
Pc	1620.68	kPa	Joback Calculated Property
Inp	[2564.60; 2564.60]
Inp	2564.60		NIST
Inp	2564.60		NIST
Tboil	638.32	K	Relay (1.0) Calculated Property
Tc	912.01	K	Relay (1.0) Calculated Property
Tfus	408.47	K	Relay (1.0) Calculated Property
Vc	0.918	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.56; 1049.73]	J/mol×K	[782.02; 1027.22]
Cp,gas	885.56	J/mol×K	782.02	Joback Calculated Property
Cp,gas	913.78	J/mol×K	822.89	Joback Calculated Property
Cp,gas	941.22	J/mol×K	863.75	Joback Calculated Property
Cp,gas	968.20	J/mol×K	904.62	Joback Calculated Property
Cp,gas	995.05	J/mol×K	945.49	Joback Calculated Property
Cp,gas	1022.12	J/mol×K	986.35	Joback Calculated Property
Cp,gas	1049.73	J/mol×K	1027.22	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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