Chemical Properties of Hexadecanoic acid, 10,16-bis[(trimethylsilyl)oxy]-, methyl ester (CAS 21987-16-6)

InChI

InChI=1S/C23H50O4Si2/c1-25-23(24)20-16-11-9-8-10-14-18-22(27-29(5,6)7)19-15-12-13-17-21-26-28(2,3)4/h22H,8-21H2,1-7H3

InChI Key

LSNBUNAPGUZSSF-UHFFFAOYSA-N

Formula

C23H50O4Si2

SMILES

COC(=O)CCCCCCCCC(CCCCCCO[Si](C)(C)C)O[Si](C)(C)C

Molecular Weight¹

446.81

CAS

21987-16-6

Other Names

• Hexadecanoic acid, 10,16-bis(trimethylsiloxy)-, methyl ester
• 10,16-dihydroxyhexadecanoic acid, methyl ester TMSi ether

• 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.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1277.56	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.95	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	7.302		Crippen Calculated Property
Pc	230.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[2460.00; 2470.00]
Inp	2470.00		NIST
Inp	2460.00		NIST
Inp	2460.00		NIST
Inp	2470.00		NIST
Tboil	626.04	K	Relay (1.0) Calculated Property
Tc	791.79	K	Relay (1.0) Calculated Property
Tfus	276.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 10,16-bis[(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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