Chemical Properties of Tricosanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester (CAS 56784-03-3)

InChI

InChI=1S/C27H56O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(28)29-2)30-31(3,4)5/h26H,6-25H2,1-5H3

InChI Key

GRADXVJUAVCNHF-UHFFFAOYSA-N

Formula

C27H56O3Si

SMILES

CCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC

Molecular Weight¹

456.82

CAS

56784-03-3

Other Names

• «alpha»-Hydroxytricosanoic acid, TMS ether, methyl ester
• «alpha»-Hydroxytricosanoic acid, TMSi-Me
• Methyl 2-hydroxytricosanoate, tms derivative

• 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	1.1577		Relay (... Calculated Property
ΔfG°	-187.97	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1128.67	kJ/mol	Relay (... Calculated Property
ΔvapH°	127.52	kJ/mol	Relay (... Calculated Property
IE	10.02	eV	Relay (... Calculated Property
log10WS	-7.89		Relay (... Calculated Property
logPoct/wat	9.201		Crippen Calculated Property
Pc	27.65	kPa	Relay (... Calculated Property ⚠️
Inp	[2815.00; 2815.00]
Inp	2815.00		NIST
Inp	2815.00		NIST
Tboil	629.89	K	Relay (... Calculated Property
Tc	811.48	K	Relay (... Calculated Property
Tfus	320.61	K	Relay (... Calculated Property
Vc	1.659	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Tricosanoic acid, 2-[(trimethylsilyl)oxy]-, 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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