Chemical Properties of 1-Monooleoylglycerol trimethylsilyl ether (CAS 54284-47-8)

InChI

InChI=1S/C27H56O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)29-24-26(31-33(5,6)7)25-30-32(2,3)4/h15-16,26H,8-14,17-25H2,1-7H3/b16-15+

InChI Key

NWNDCIXVALUZHH-FOCLMDBBSA-N

Formula

C27H56O4Si2

SMILES

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

Molecular Weight¹

500.90

CAS

54284-47-8

Other Names

• 9-Octadecenoic acid (Z)-, 2,3-bis[(trimethylsilyl)oxy]propyl ester
• 2,3-Bis[(trimethylsilyl)oxy]propyl (9Z)-9-octadecenoate
• Oleic acid, 2,3-bis-(OTMS)propyl ester
• monoolein TMS
• Oleic acid, 2,3-bis-(OTMS) propyl ester («alpha»-glyceryl oleate)
• 1-Monooleoylglycerol, 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	1.0908		Relay (... Calculated Property
ΔfG°	-236.99	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1307.07	kJ/mol	Relay (... Calculated Property
ΔvapH°	112.24	kJ/mol	Relay (... Calculated Property
IE	9.11	eV	Relay (... Calculated Property
log10WS	-6.45		Relay (... Calculated Property
logPoct/wat	8.639		Crippen Calculated Property
Pc	15.68	kPa	Relay (... Calculated Property ⚠️
Inp	[2779.00; 2788.00]
Inp	2779.00		NIST
Inp	2784.00		NIST
Inp	2788.00		NIST
Tboil	659.91	K	Relay (... Calculated Property
Tc	809.75	K	Relay (... Calculated Property
Tfus	264.95	K	Relay (... Calculated Property
Vc	1.738	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-Monooleoylglycerol 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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