Chemical Properties of 7-«alpha»,17-«beta»-Dimethyl-5-«beta»-Androstane-3-«alpha»,17-«alpha»-diol

InChI

InChI=1S/C21H36O2/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/h13-18,22-23H,5-12H2,1-4H3/t13-,14-,15-,16?,17?,18?,19?,20?,21-/m0/s1

InChI Key

ZWQUPIDNCOVROC-SBXJRRCCSA-N

Formula

C21H36O2

SMILES

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

Molecular Weight¹

320.51

• 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	0.6686		Relay (... Calculated Property
ΔfG°	-20.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-590.84	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.82	kJ/mol	Joback Calculated Property
ΔvapH°	136.42	kJ/mol	Relay (... Calculated Property
IE	8.72	eV	Relay (... Calculated Property
log10WS	-4.77		Relay (... Calculated Property
logPoct/wat	4.387		Crippen Calculated Property
McVol	275.050	ml/mol	McGowan Calculated Property
Pc	1686.56	kPa	Joback Calculated Property
Inp	[2614.00; 2614.00]
Inp	2614.00		NIST
Inp	2614.00		NIST
Tboil	645.27	K	Relay (... Calculated Property
Tc	941.57	K	Relay (... Calculated Property
Tfus	449.14	K	Relay (... Calculated Property
Vc	1.014	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1036.16; 1221.85]	J/mol×K	[889.92; 1106.54]
Cp,gas	1036.16	J/mol×K	889.92	Joback Calculated Property
Cp,gas	1063.65	J/mol×K	926.02	Joback Calculated Property
Cp,gas	1092.05	J/mol×K	962.13	Joback Calculated Property
Cp,gas	1121.72	J/mol×K	998.23	Joback Calculated Property
Cp,gas	1153.00	J/mol×K	1034.33	Joback Calculated Property
Cp,gas	1186.26	J/mol×K	1070.43	Joback Calculated Property
Cp,gas	1221.85	J/mol×K	1106.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-«alpha»,17-«beta»-Dimethyl-5-«beta»-Androstane-3-«alpha»,17-«alpha»-diol.

Sources

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

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