Chemical Properties of 2-Monolinoleoylglycerol trimethylsilyl ether (CAS 54284-46-7)

InChI

InChI=1S/C27H54O4Si2/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/h12-13,15-16,26H,8-11,14,17-25H2,1-7H3/b13-12+,16-15+

InChI Key

NPJJKBGACKVEMM-XUPYMNJSSA-N

Formula

C27H54O4Si2

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C

Molecular Weight¹

498.89

CAS

54284-46-7

Other Names

• 9,12-Octadecadienoic acid (Z,Z)-, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
• 2-[(Trimethylsilyl)oxy]-1-([(trimethylsilyl)oxy]methyl)ethyl (9Z,12Z)-9,12-octadecadienoate
• Linoleic acid, 1,3-bis-(O-TMS)-2-propyl ester
• Linoleic acid, 1,3-bis-(OTMS) propyl ester («beta»-glyceryl linoleate)
• 2-Linoleoylglycerol, 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	1.0108		Relay (... Calculated Property
ΔfG°	-184.98	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1255.88	kJ/mol	Relay (... Calculated Property
ΔvapH°	114.10	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-6.35		Relay (... Calculated Property
logPoct/wat	8.415		Crippen Calculated Property
Pc	30.43	kPa	Relay (... Calculated Property ⚠️
Inp	[2706.10; 2777.00]
Inp	2706.10		NIST
Inp	2777.00		NIST
Inp	2740.00		NIST
Inp	2739.00		NIST
Inp	2740.00		NIST
Inp	2777.00		NIST
Inp	2706.10		NIST
Tboil	657.50	K	Relay (... Calculated Property
Tc	807.66	K	Relay (... Calculated Property
Tfus	266.74	K	Relay (... Calculated Property
Vc	1.684	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 2-Monolinoleoylglycerol 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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