Chemical Properties of 2-Monostearin trimethylsilyl ether

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

502.93

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

• 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.
• 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	-1374.52	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	118.00	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.26		Relay (1.0) Calculated Property
logPoct/wat	8.863		Crippen Calculated Property
Inp	[2772.00; 2775.00]
Inp	2775.00		NIST
Inp	2772.00		NIST
Inp	2775.00		NIST
Tboil	653.28	K	Relay (1.0) Calculated Property
Tc	815.18	K	Relay (1.0) Calculated Property
Tfus	278.86	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 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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