Chemical Properties of 9,12,15-Octadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)- (CAS 55521-22-7)

InChI

InChI=1S/C27H52O4Si2/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/h9-10,12-13,15-16,26H,8,11,14,17-25H2,1-7H3/b10-9+,13-12+,16-15+

InChI Key

FNNJDMUEVPSMJN-WYTUUNCASA-N

Formula

C27H52O4Si2

SMILES

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

Molecular Weight¹

496.87

CAS

55521-22-7

Other Names

• 1-Monolinolenin 2-3-bis(trimethylsilyl) ether

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔvapH°	113.45	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	8.191		Crippen Calculated Property
Inp	[2751.80; 2751.80]
Inp	2751.80		NIST
Inp	2751.80		NIST
Tboil	659.42	K	Relay (1.0) Calculated Property
Tc	810.30	K	Relay (1.0) Calculated Property
Tfus	274.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 9,12,15-Octadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)-.

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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