Chemical Properties of cis-7,10,13,16-Docosatetraenoic acid, tert-butyldimethylsilyl ester

InChI

InChI=1S/C28H50O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)30-31(5,6)28(2,3)4/h11-12,14-15,17-18,20-21H,7-10,13,16,19,22-26H2,1-6H3/b12-11-,15-14-,18-17-,21-20-

InChI Key

NWXIAZMKBWSKLJ-FORXSXPXSA-N

Formula

C28H50O2Si

SMILES

CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

446.78

• 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	-802.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.31	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.43		Relay (1.0) Calculated Property
logPoct/wat	9.461		Crippen Calculated Property
Inp	[2828.00; 2828.00]
Inp	2828.00		NIST
Inp	2828.00		NIST
Tboil	638.21	K	Relay (1.0) Calculated Property
Tc	837.82	K	Relay (1.0) Calculated Property
Tfus	287.05	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 cis-7,10,13,16-Docosatetraenoic acid, tert-butyldimethylsilyl 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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