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

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1321.54	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	107.73	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.29		Relay (1.0) Calculated Property
logPoct/wat	8.082		Crippen Calculated Property
Pc	111.63	kPa	Relay (1.0-beta) 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	2574.10		NIST
Inp	2613.00		NIST
Inp	2606.00		NIST
Tboil	642.20	K	Relay (1.0) Calculated Property
Tc	799.67	K	Relay (1.0) Calculated Property
Tfus	271.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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