Chemical Properties of Heptadecanoic acid, 2-hydroxy, methyl ester, TMS

InChI

InChI=1S/C21H44O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21(22)23-2)24-25(3,4)5/h20H,6-19H2,1-5H3

InChI Key

UDJKFJNTSWSJON-UHFFFAOYSA-N

Formula

C21H44O3Si

SMILES

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

Molecular Weight¹

372.66

Other Names

• Heptadecanoic acid, 2-trimethylsilyloxy, methyl ester

• 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	-1011.07	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.88	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	6.861		Crippen Calculated Property
Inp	[2200.00; 2221.00]
Inp	2221.00		NIST
Inp	2221.00		NIST
Inp	2200.00		NIST
Inp	2200.00		NIST
Tboil	587.52	K	Relay (1.0) Calculated Property
Tc	764.47	K	Relay (1.0) Calculated Property
Tfus	295.80	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 Heptadecanoic acid, 2-hydroxy, methyl ester, TMS.

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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