Chemical Properties of Octadecanoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester (CAS 1188-75-6)

InChI

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

InChI Key

DPQSOLLSNCYGEP-UHFFFAOYSA-N

Formula

C27H58O4Si2

SMILES

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

Molecular Weight¹

502.92

CAS

1188-75-6

Other Names

• Stearic acid, 2,3-bis(trimethylsiloxy)propyl ester
• 2,3-Bis[(trimethylsilyl)oxy]propyl stearate
• Octadecanoic acid, 2,3-bis-(OTMS) propyl ester
• Bis(trimethylsilyl)monostearin
• monostearin TMS
• Octadecanoic acid, 2,3-bis-(OTMS) propyl ester («alpha»-glyceryl stearate)
• «alpha»-Glyceryl stearate, di-TMS
• Glycerol monostearate, 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.
• 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	1.1687		Relay (1.0) Calculated Property
ΔfG°	-290.19	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1360.24	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	113.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-6.97		Relay (1.0) Calculated Property
logPoct/wat	8.863		Crippen Calculated Property
Inp	[2766.70; 2808.00]
Inp	2766.70		NIST
Inp	2806.00		NIST
Inp	2808.00		NIST
Inp	2806.00		NIST
Inp	2766.70		NIST
Inp	2808.00		NIST
Inp	2806.00		NIST
Tboil	655.89	K	Relay (1.0) Calculated Property
Tc	810.80	K	Relay (1.0) Calculated Property
Tfus	281.12	K	Relay (1.0) Calculated Property
Vc	1.797	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester.

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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