Chemical Properties of Eicosanoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester (CAS 55517-94-7)

InChI

InChI=1S/C29H62O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(30)31-26-28(33-35(5,6)7)27-32-34(2,3)4/h28H,8-27H2,1-7H3

InChI Key

KIQRTLCOMLAEFH-UHFFFAOYSA-N

Formula

C29H62O4Si2

SMILES

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

Molecular Weight¹

530.97

CAS

55517-94-7

Other Names

• Eicosanoic acid, 2,3-bis-(OTMS)propyl ester
• 1-Glyceryl, mono-eicosanoate, bis-(O-TMS)-
• Arachidic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester
• «alpha»-Glyceryl arachidate, bis-(O-TMS)-
• Eicosanoic acid, 2,3-bis-(OTMS) propyl ester («alpha»-glyceryl arachidate)
• «alpha»-Glyceryl eicosanoate, TMS
• Glycerol, mono-eicosanoate, bis-TMS
• 2,3-Dihydroxypropyl icosanoate, 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.
• 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	1.2390		Relay (1.0) Calculated Property
ΔfG°	-273.89	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1399.76	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-7.66		Relay (1.0) Calculated Property
logPoct/wat	9.643		Crippen Calculated Property
Inp	[2960.10; 3000.00]
Inp	2960.10		NIST
Inp	2998.00		NIST
Inp	2999.00		NIST
Inp	3000.00		NIST
Inp	2960.10		NIST
Inp	2999.00		NIST
Inp	2998.00		NIST
Tboil	669.43	K	Relay (1.0) Calculated Property
Tc	826.03	K	Relay (1.0) Calculated Property
Tfus	286.87	K	Relay (1.0) Calculated Property
Vc	1.906	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Eicosanoic 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

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