Chemical Properties of trans-13-Octadecenoic acid, trimethylsilyl ester

InChI

InChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h8-9H,5-7,10-20H2,1-4H3/b9-8+

InChI Key

RNVCFFQAHYGLBB-CMDGGOBGSA-N

Formula

C21H42O2Si

SMILES

CCCCC=CCCCCCCCCCCCC(=O)O[Si](C)(C)C

Molecular Weight¹

354.64

Other Names

• 13-Octadecenoic acid, (e)-, tms derivative

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-847.54	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-6.67		Relay (1.0) Calculated Property
logPoct/wat	7.402		Crippen Calculated Property
Pc	576.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[2227.60; 2227.60]
Inp	2227.60		NIST
Inp	2227.60		NIST
Tboil	595.86	K	Relay (1.0) Calculated Property
Tc	763.40	K	Relay (1.0) Calculated Property
Tfus	263.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 trans-13-Octadecenoic acid, trimethylsilyl 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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