Chemical Properties of «alpha»-Linolenic acid, trimethylsilyl ester (CAS 97844-13-8)

InChI

InChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12-

InChI Key

DCFAEXKJEMZTKR-QNEBEIHSSA-N

Formula

C21H38O2Si

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)O[Si](C)(C)C

Molecular Weight¹

350.61

CAS

97844-13-8

Other Names

• Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate
• «alpha»-Linolenic acid, TMS
• cis,cis,cis-9,12,15-Octadecatrienoic acid, trimethylsilyl ester
• Trimethylsilyl linolenate
• «ALPHA»-linolenic acid, tms derivative

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ΔvapH°	101.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
logPoct/wat	6.954		Crippen Calculated Property
Inp	[2218.00; 2218.70]
Inp	2218.00		NIST
Inp	2218.70		NIST
Inp	2218.00		NIST
Tboil	593.21	K	Relay (1.0) Calculated Property
Tc	761.83	K	Relay (1.0) Calculated Property
Tfus	264.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 «alpha»-Linolenic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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