Chemical Properties of Docosanoic acid, 22-(trimethylsiloxy)-, methyl ester (CAS 21987-15-5)

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

442.79

CAS

21987-15-5

Other Names

• 22-hydroxydocosanoic acid, methyl ester TMSi 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	1.1750		Relay (... Calculated Property
ΔfG°	-167.67	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1112.96	kJ/mol	Relay (... Calculated Property
ΔvapH°	127.98	kJ/mol	Relay (... Calculated Property
IE	10.03	eV	Relay (... Calculated Property
log10WS	-7.68		Relay (... Calculated Property
logPoct/wat	8.813		Crippen Calculated Property
Pc	165.90	kPa	Relay (... Calculated Property ⚠️
Inp	[2863.00; 2863.00]
Inp	2863.00		NIST
Inp	2863.00		NIST
Tboil	642.67	K	Relay (... Calculated Property
Tc	815.85	K	Relay (... Calculated Property
Tfus	319.23	K	Relay (... Calculated Property
Vc	1.618	m3/kmol	Relay (... Calculated Property

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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