Chemical Properties of Hexadecanoic acid, 16-(trimethylsiloxy)-, methyl ester (CAS 21987-14-4)

InChI

InChI=1S/C20H42O3Si/c1-22-20(21)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-23-24(2,3)4/h5-19H2,1-4H3

InChI Key

XJKMNMXZRQVIAK-UHFFFAOYSA-N

Formula

C20H42O3Si

SMILES

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

Molecular Weight¹

358.63

CAS

21987-14-4

Other Names

• 16-hydroxyhexadecanoic 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	0.9642		Relay (... Calculated Property
ΔfG°	-218.37	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-995.21	kJ/mol	Relay (... Calculated Property
ΔvapH°	103.35	kJ/mol	Relay (... Calculated Property
IE	9.84	eV	Relay (... Calculated Property
log10WS	-5.59		Relay (... Calculated Property
logPoct/wat	6.472		Crippen Calculated Property
Pc	658.67	kPa	Relay (... Calculated Property ⚠️
Inp	[2268.00; 2274.00]
Inp	2268.00		NIST
Inp	2274.00		NIST
Inp	2268.00		NIST
Inp	2274.00		NIST
Tboil	601.78	K	Relay (... Calculated Property
Tc	768.19	K	Relay (... Calculated Property
Tfus	297.79	K	Relay (... Calculated Property
Vc	1.285	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanoic acid, 16-(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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