Chemical Properties of 3A-Hydroxy-5A-androst-16-ene, TMS

InChI

InChI=1S/C22H38OSi/c1-21-12-6-7-19(21)18-9-8-16-15-17(23-24(3,4)5)10-14-22(16,2)20(18)11-13-21/h6,12,16-20H,7-11,13-15H2,1-5H3/t16-,17+,18?,19?,20?,21-,22-/m1/s1

InChI Key

HUNGYZOAGOETMS-TVUKYMPLSA-N

Formula

C22H38OSi

SMILES

CC12C=CCC1C1CCC3CC(O[Si](C)(C)C)CCC3(C)C1CC2

Molecular Weight¹

346.62

Other Names

• 5-«alpha»,16-Androsten-3-«alpha»-ol, TMS

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• 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	0.4586		Relay (1.0) Calculated Property
ΔfG°	181.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-476.72	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-6.34		Relay (1.0) Calculated Property
logPoct/wat	6.415		Crippen Calculated Property
Pc	729.96	kPa	Relay (1.0-beta) Calculated Property
Inp	[2170.00; 2186.00]
Inp	2186.00		NIST
Inp	2170.00		NIST
Tboil	635.07	K	Relay (1.0) Calculated Property
Tc	874.74	K	Relay (1.0) Calculated Property
Tfus	374.27	K	Relay (1.0) Calculated Property
Vc	1.124	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3A-Hydroxy-5A-androst-16-ene, TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.