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_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 (1.0) Calculated Property
ΔfH°gas	-995.21	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	105.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-5.59		Relay (1.0) Calculated Property
logPoct/wat	6.472		Crippen Calculated Property
Pc	632.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[2268.00; 2274.00]
Inp	2274.00		NIST
Inp	2268.00		NIST
Inp	2274.00		NIST
Inp	2268.00		NIST
Tboil	601.78	K	Relay (1.0) Calculated Property
Tc	772.90	K	Relay (1.0) Calculated Property
Tfus	293.06	K	Relay (1.0) Calculated Property
Vc	1.287	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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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