Chemical Properties of 2-Monostearin trimethylsilyl ether (CAS 53336-13-3)

InChI

InChI=1S/C27H58O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)31-26(24-29-32(2,3)4)25-30-33(5,6)7/h26H,8-25H2,1-7H3

InChI Key

FSYBYYSILBLSBF-UHFFFAOYSA-N

Formula

C27H58O4Si2

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C

Molecular Weight¹

502.92

CAS

53336-13-3

Other Names

• Octadecanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
• 2-Monostearoylglycerol trimethylsilyl ether
• Octadecanoic acid, 1,3-bis-(O-TMS)-2-propyl ester
• Octadecanoic acid, 1,3-bis-(OTMS) propyl ester («beta»-glyceryl stearate)
• 2-Monostearin, 2tms 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	1.1723		Relay (... Calculated Property
ΔfG°	-294.13	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1374.52	kJ/mol	Relay (... Calculated Property
ΔvapH°	116.68	kJ/mol	Relay (... Calculated Property
IE	9.96	eV	Relay (... Calculated Property
log10WS	-7.26		Relay (... Calculated Property
logPoct/wat	8.863		Crippen Calculated Property
Pc	1.57	kPa	Relay (... Calculated Property ⚠️
Inp	[2772.00; 2775.00]
Inp	2775.00		NIST
Inp	2772.00		NIST
Inp	2775.00		NIST
Tboil	653.28	K	Relay (... Calculated Property
Tc	811.05	K	Relay (... Calculated Property
Tfus	282.35	K	Relay (... Calculated Property
Vc	1.802	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Monostearin 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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