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

• 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	0.9249		Relay (... Calculated Property
ΔfG°	-123.91	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1187.77	kJ/mol	Relay (... Calculated Property
ΔvapH°	112.03	kJ/mol	Relay (... Calculated Property
IE	8.62	eV	Relay (... Calculated Property
log10WS	-5.80		Relay (... Calculated Property
logPoct/wat	8.191		Crippen Calculated Property
Pc	-29.45	kPa	Relay (... Calculated Property ⚠️
Inp	[2751.80; 2751.80]
Inp	2751.80		NIST
Inp	2751.80		NIST
Tboil	659.42	K	Relay (... Calculated Property
Tc	805.97	K	Relay (... Calculated Property
Tfus	277.68	K	Relay (... Calculated Property
Vc	1.619	m3/kmol	Relay (... Calculated Property

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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