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

• 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	-1399.76	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	123.46	kJ/mol	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	830.18	K	Relay (1.0) Calculated Property
Tfus	282.17	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 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

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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