Chemical Properties of 3«beta»-(Trimethylsiloxy)androst-5-ene (CAS 49774-79-0)

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/h8,17-20H,6-7,9-15H2,1-5H3/t17-,18-,19-,20-,21-,22-/m1/s1

InChI Key

OCMIATRGWNMDTQ-CGXUPHRESA-N

Formula

C22H38OSi

SMILES

CC12CCCC1C1CC=C3CC(O[Si](C)(C)C)CCC3(C)C1CC2

Molecular Weight¹

346.62

CAS

49774-79-0

Other Names

• Silane, [[(3«beta»)-androst-5-en-3-yl]oxy]trimethyl-
• 5-Androsten-3-«beta»-ol, TMS
• Androst-5-en-3«beta»-ol, tms derivative

• 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	0.4637		Relay (... Calculated Property
ΔfG°	165.17	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-467.60	kJ/mol	Relay (... Calculated Property
ΔvapH°	95.19	kJ/mol	Relay (... Calculated Property
IE	8.61	eV	Relay (... Calculated Property
log10WS	-6.09		Relay (... Calculated Property
logPoct/wat	6.559		Crippen Calculated Property
Pc	779.50	kPa	Relay (... Calculated Property ⚠️
Inp	[2270.00; 2280.00]
Inp	2280.00		NIST
Inp	2270.00		NIST
Tboil	629.37	K	Relay (... Calculated Property
Tc	872.01	K	Relay (... Calculated Property
Tfus	380.01	K	Relay (... Calculated Property
Vc	1.132	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3«beta»-(Trimethylsiloxy)androst-5-ene.

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

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