Chemical Properties of Linolenic acid, TMS

InChI

InChI=1S/C23H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h8-9,11-12,14-15H,5-7,10,13,16-22H2,1-4H3/b9-8-,12-11-,15-14-

InChI Key

FKQWLEUHHOAJCZ-ORZIMQNZSA-N

Formula

C23H42O2Si

SMILES

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

Molecular Weight¹

378.66

• 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	-771.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	107.95	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.56		Relay (1.0) Calculated Property
logPoct/wat	7.734		Crippen Calculated Property
Inp	[2193.00; 2208.00]
Inp	2193.00		NIST
Inp	2208.00		NIST
Inp	2193.00		NIST
Tboil	610.56	K	Relay (1.0) Calculated Property
Tc	774.88	K	Relay (1.0) Calculated Property
Tfus	265.60	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 Linolenic acid, 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

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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