Chemical Properties of Docosanoic acid, 22-(trimethylsiloxy)-, methyl ester

InChI

InChI=1S/C26H54O3Si/c1-28-26(27)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-29-30(2,3)4/h5-25H2,1-4H3

InChI Key

NEKJDRGEYVXLHW-UHFFFAOYSA-N

Formula

C26H54O3Si

SMILES

COC(=O)CCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)C

Molecular Weight¹

442.80

Other Names

• 22-hydroxydocosanoic acid, methyl ester TMSi ether

• ω : Acentric Factor.
• 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	1.1750		Relay (1.0) Calculated Property
ΔfH°gas	-1112.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	129.69	kJ/mol	Relay (1.0) Calculated Property
IE	10.03	eV	Relay (1.0) Calculated Property
log10WS	-7.68		Relay (1.0) Calculated Property
logPoct/wat	8.813		Crippen Calculated Property
Pc	136.74	kPa	Relay (1.0-beta) Calculated Property
Inp	[2863.00; 2863.00]
Inp	2863.00		NIST
Inp	2863.00		NIST
Tboil	642.67	K	Relay (1.0) Calculated Property
Tc	819.31	K	Relay (1.0) Calculated Property
Tfus	312.76	K	Relay (1.0) Calculated Property
Vc	1.620	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to Docosanoic acid, 22-(trimethylsiloxy)-, methyl 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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