Chemical Properties of Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester (CAS 21987-11-1)

InChI

InChI=1S/C20H42O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(21)22-2)23-24(3,4)5/h19H,6-18H2,1-5H3

InChI Key

ISYKTPYDGSSZAA-UHFFFAOYSA-N

Formula

C20H42O3Si

SMILES

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

Molecular Weight¹

358.63

CAS

21987-11-1

Other Names

• Hexadecanoic acid, 2-(trimethylsiloxy)-, methyl ester
• Methylpalmitate, 2-trimethylsiloxy
• Hexadecanoic acid, 2-hydroxy, methyl ester, TMS

• 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	0.9116		Relay (1.0) Calculated Property
ΔfG°	-246.09	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-991.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-5.49		Relay (1.0) Calculated Property
logPoct/wat	6.471		Crippen Calculated Property
Pc	595.32	kPa	Relay (1.0-beta) Calculated Property
Inp	[2124.00; 2126.00]
Inp	2124.00		NIST
Inp	2126.00		NIST
Inp	2124.00		NIST
Tboil	579.27	K	Relay (1.0) Calculated Property
Tc	749.27	K	Relay (1.0) Calculated Property
Tfus	295.22	K	Relay (1.0) Calculated Property
Vc	1.270	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic 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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