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

• 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	0.9469		Relay (... Calculated Property
ΔfG°	-237.84	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1011.07	kJ/mol	Relay (... Calculated Property
ΔvapH°	103.13	kJ/mol	Relay (... Calculated Property
IE	9.84	eV	Relay (... Calculated Property
log10WS	-5.85		Relay (... Calculated Property
logPoct/wat	6.861		Crippen Calculated Property
Pc	512.20	kPa	Relay (... Calculated Property ⚠️
Inp	[2200.00; 2221.00]
Inp	2221.00		NIST
Inp	2200.00		NIST
Tboil	587.52	K	Relay (... Calculated Property
Tc	759.34	K	Relay (... Calculated Property
Tfus	300.24	K	Relay (... Calculated Property
Vc	1.326	m3/kmol	Relay (... Calculated Property

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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