Chemical Properties of Pregn-5-en-20-one, 3-[(trimethylsilyl)oxy]-, (3«beta»)- (CAS 18919-58-9)

InChI

InChI=1S/C24H40O2Si/c1-16(25)20-9-10-21-19-8-7-17-15-18(26-27(4,5)6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,18-22H,8-15H2,1-6H3

InChI Key

MQAKMQDJWRHTAA-UHFFFAOYSA-N

Formula

C24H40O2Si

SMILES

CC(=O)C1CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C

Molecular Weight¹

388.66

CAS

18919-58-9

Other Names

• Pregn-5-en-20-one, 3«beta»-(trimethylsiloxy)-
• Pregnenolone trimethylsilyl ether
• 3«beta»-Trimethylsilyloxypregn-5-en-20-one
• Trimethylsilyl derivative of 3«beta»-hydroxypregn-5-en-20-one
• 3-[(Trimethylsilyl)oxy]pregn-5-en-20-one, (3«beta»)-
• 5-Pregnen-3«beta»-ol-20-one, trimethylsilyl ether
• 3-[(Trimethylsilyl)oxy]pregn-5-en-20-one
• Pregnenolone, 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	0.5294		Relay (1.0) Calculated Property
ΔfG°	80.10	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-600.08	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-5.21		Relay (1.0) Calculated Property
logPoct/wat	6.375		Crippen Calculated Property
Pc	635.14	kPa	Relay (1.0-beta) Calculated Property
Inp	[2695.00; 2784.30]
Inp	2784.30		NIST
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	655.99	K	Relay (1.0) Calculated Property
Tc	924.90	K	Relay (1.0) Calculated Property
Tfus	404.78	K	Relay (1.0) Calculated Property
Vc	1.213	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pregn-5-en-20-one, 3-[(trimethylsilyl)oxy]-, (3«beta»)-.

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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