Chemical Properties of 17-«alpha»-Hydroxy-7-«alpha»,17-«alpha»-dimethyl-5-«beta»-androstan-3-one

InChI

InChI=1S/C21H34O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-14,16-18,23H,5-12H2,1-4H3/t13-,14-,16?,17?,18?,19?,20?,21-/m0/s1

InChI Key

OXGWMWXYFIDNLU-NRYYYKNLSA-N

Formula

C21H34O2

SMILES

CC1CC2CC(=O)CCC2(C)C2CCC3(C)C(CCC3(C)O)C12

Molecular Weight¹

318.49

• 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	0.6057		Relay (... Calculated Property
ΔfG°	1.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-557.04	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.17	kJ/mol	Joback Calculated Property
ΔvapH°	115.55	kJ/mol	Relay (... Calculated Property
IE	8.77	eV	Relay (... Calculated Property
log10WS	-4.68		Relay (... Calculated Property
logPoct/wat	4.595		Crippen Calculated Property
McVol	270.750	ml/mol	McGowan Calculated Property
Pc	1653.80	kPa	Joback Calculated Property
Inp	[2656.00; 2656.00]
Inp	2656.00		NIST
Inp	2656.00		NIST
Tboil	638.30	K	Relay (... Calculated Property
Tc	940.91	K	Relay (... Calculated Property
Tfus	451.68	K	Relay (... Calculated Property
Vc	0.979	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[997.14; 1190.49]	J/mol×K	[870.23; 1104.48]
Cp,gas	997.14	J/mol×K	870.23	Joback Calculated Property
Cp,gas	1026.10	J/mol×K	909.27	Joback Calculated Property
Cp,gas	1055.81	J/mol×K	948.31	Joback Calculated Property
Cp,gas	1086.69	J/mol×K	987.36	Joback Calculated Property
Cp,gas	1119.15	J/mol×K	1026.40	Joback Calculated Property
Cp,gas	1153.61	J/mol×K	1065.44	Joback Calculated Property
Cp,gas	1190.49	J/mol×K	1104.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 17-«alpha»-Hydroxy-7-«alpha»,17-«alpha»-dimethyl-5-«beta»-androstan-3-one.

Sources

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

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