Chemical Properties of trans-Traumatic acid, bis(trimethylsilyl) ester

InChI

InChI=1S/C18H36O4Si2/c1-23(2,3)21-17(19)15-13-11-9-7-8-10-12-14-16-18(20)22-24(4,5)6/h13,15H,7-12,14,16H2,1-6H3/b15-13+

InChI Key

XUSCELGAZUEVPT-FYWRMAATSA-N

Formula

C18H36O4Si2

SMILES

C[Si](C)(C)OC(=O)C=CCCCCCCCCC(=O)O[Si](C)(C)C

Molecular Weight¹

372.65

Other Names

• Traumatic acid, (e)-, 2tms derivative

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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°	89.32	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.420		Crippen Calculated Property
Inp	[2123.00; 2135.40]
Inp	2135.40		NIST
Inp	2135.40		NIST
Inp	2123.00		NIST
Inp	2131.00		NIST
Tboil	572.76	K	Relay (1.0) Calculated Property
Tc	757.20	K	Relay (1.0) Calculated Property
Tfus	274.49	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, Ionization energy, 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 trans-Traumatic acid, bis(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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