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

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-991.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	100.76	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.49		Relay (1.0) Calculated Property
logPoct/wat	6.471		Crippen 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	754.26	K	Relay (1.0) Calculated Property
Tfus	291.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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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