Chemical Properties of 3«beta»,17,21«alpha»-Tris(trimethylsiloxy)pregn-5-ene (CAS 41164-19-6)

InChI

InChI=1S/C30H58O3Si3/c1-22(31-34(4,5)6)30(33-36(10,11)12)20-17-27-25-14-13-23-21-24(32-35(7,8)9)15-18-28(23,2)26(25)16-19-29(27,30)3/h13,22,24-27H,14-21H2,1-12H3

InChI Key

LKYVWFBGNWTZFW-UHFFFAOYSA-N

Formula

C30H58O3Si3

SMILES

CC(O[Si](C)(C)C)C1(O[Si](C)(C)C)CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC21C

Molecular Weight¹

551.04

CAS

41164-19-6

Other Names

• Silane, [[(3«beta»,20S)-preg-5-ene-3,17,20-triyl]tris(oxy)]tris[trimethyl-
• Silane, [[(3«beta»,20S)-preg-5-ene-3,17,20-triyl]tris(oxy)]tris*trimethyl-
• Tris(trimethylsilyl)- 5-Pregnene-3«beta»,17«alpha»,20«alpha»-triol
• 5-pregnene-3«beta»,17,20«alpha»-triol, MO-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	0.6674		Relay (... Calculated Property
ΔfG°	16.82	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-998.02	kJ/mol	Relay (... Calculated Property
ΔvapH°	109.56	kJ/mol	Relay (... Calculated Property
IE	8.42	eV	Relay (... Calculated Property
log10WS	-6.55		Relay (... Calculated Property
logPoct/wat	9.000		Crippen Calculated Property
Pc	-273.95	kPa	Relay (... Calculated Property ⚠️
Inp	[2944.00; 2966.00]
Inp	2944.00		NIST
Inp	2966.00		NIST
Inp	2966.00		NIST
Inp	2944.00		NIST
Tboil	690.58	K	Relay (... Calculated Property
Tc	937.10	K	Relay (... Calculated Property
Tfus	387.24	K	Relay (... Calculated Property
Vc	1.801	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3«beta»,17,21«alpha»-Tris(trimethylsiloxy)pregn-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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