Chemical Properties of «beta»-Sitosterol trimethylsilyl ether (CAS 2625-46-9)

InChI

InChI=1S/C32H58OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h13,22-24,26-30H,10-12,14-21H2,1-9H3/t23?,24?,26-,27?,28?,29?,30?,31?,32?/m1/s1

InChI Key

XEWVATFZTBNDCF-OJDXYSFISA-N

Formula

C32H58OSi

SMILES

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

Molecular Weight¹

486.89

CAS

2625-46-9

Other Names

• Silane, trimethyl[[(3«beta»)-stigmast-5-en-3-yl]oxy]-
• Silane, trimethyl(stigmast-5-en-3«beta»-yloxy)-
• «beta»-Sitosterol TMS
• beta-Sitosterol, TMS
• 24«beta»-ethylcholest-5-en-3«beta»-ol, TMS
• Sitosterol (24«beta»-ethylcholest-5-en-3«beta»-ol), TMS
• Sitosterol, TMS
• «BETA»-sitosterol, 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	0.6639		Relay (... Calculated Property
ΔfG°	233.93	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-652.93	kJ/mol	Relay (... Calculated Property
ΔvapH°	126.01	kJ/mol	Relay (... Calculated Property
IE	8.63	eV	Relay (... Calculated Property
log10WS	-8.59		Relay (... Calculated Property
logPoct/wat	9.884		Crippen Calculated Property
Pc	-111.84	kPa	Relay (... Calculated Property ⚠️
Inp	[3296.00; 3356.00]
Inp	3344.00		NIST
Inp	3348.00		NIST
Inp	3296.00		NIST
Inp	3356.00		NIST
Inp	3344.00		NIST
Tboil	699.16	K	Relay (... Calculated Property
Tc	952.75	K	Relay (... Calculated Property
Tfus	372.23	K	Relay (... Calculated Property
Vc	1.612	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Sitosterol trimethylsilyl ether.

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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