Chemical Properties of Hexadecanoic acid, 1-[[(trimethylsilyl)oxy]methyl]-1,2-ethanediyl ester (CAS 53212-93-4)

InChI

InChI=1S/C38H76O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-36(35-42-44(3,4)5)43-38(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3

InChI Key

VMCHTNYVHHNIHA-UHFFFAOYSA-N

Formula

C38H76O5Si

SMILES

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

Molecular Weight¹

641.09

CAS

53212-93-4

Other Names

• Glycerol, 1,2-dipalmitate, 3-O-TMS-
• 1,2-Dipalmitoyl-3-trimethylsilyl-glycerol
• Glycerol, 1-C16, 2-C16, TMS
• 1,2-Dipalmitin, 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	1.6118		Relay (1.0) Calculated Property
ΔfG°	-324.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1669.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	164.65	kJ/mol	Relay (1.0) Calculated Property
IE	10.11	eV	Relay (1.0) Calculated Property
log10WS	-10.14		Relay (1.0) Calculated Property
logPoct/wat	12.255		Crippen Calculated Property
Pc	-634.41	kPa	Relay (1.0-beta) Calculated Property
Inp	[3894.00; 3898.00]
Inp	3898.00		NIST
Inp	3894.00		NIST
Tboil	737.90	K	Relay (1.0) Calculated Property
Tc	886.97	K	Relay (1.0) Calculated Property
Tfus	308.18	K	Relay (1.0) Calculated Property
Vc	2.283	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, 1-[[(trimethylsilyl)oxy]methyl]-1,2-ethanediyl 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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