Chemical Properties of Hexadecanoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester (CAS 1188-74-5)

InChI

InChI=1S/C25H54O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(26)27-22-24(29-31(5,6)7)23-28-30(2,3)4/h24H,8-23H2,1-7H3

InChI Key

LUHPQMTVPLRAQA-UHFFFAOYSA-N

Formula

C25H54O4Si2

SMILES

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

Molecular Weight¹

474.86

CAS

1188-74-5

Other Names

• 1-Monopalmitin trimethylsilyl ether
• 1-Monopalmitoylglycerol trimethylsilyl ether
• Hexadecanoic acid, 2,3-bis-(OTMS) propyl ester («alpha»-glyceryl palmitate)
• monopalmitin TMS
• «alpha»-Glyceryl palmitate, bis-TMS
• «alpha»-Glyceryl palmitate, di-TMS
• 1-Monopalmitin, 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	1.0981		Relay (... Calculated Property
ΔfG°	-306.43	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1321.54	kJ/mol	Relay (... Calculated Property
ΔvapH°	106.07	kJ/mol	Relay (... Calculated Property
IE	9.72	eV	Relay (... Calculated Property
log10WS	-6.29		Relay (... Calculated Property
logPoct/wat	8.082		Crippen Calculated Property
Pc	133.26	kPa	Relay (... Calculated Property ⚠️
Inp	[2574.10; 2613.00]
Inp	2574.10		NIST
Inp	2606.00		NIST
Inp	2607.00		NIST
Inp	2613.00		NIST
Inp	2611.00		NIST
Inp	2613.00		NIST
Inp	2606.00		NIST
Inp	2574.10		NIST
Tboil	642.20	K	Relay (... Calculated Property
Tc	794.47	K	Relay (... Calculated Property
Tfus	274.87	K	Relay (... Calculated Property
Vc	1.687	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic 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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