Chemical Properties of trans-2,3-Dimethoxycinnamic acid, benzyldimethylsilyl ester

InChI

InChI=1S/C20H24O4Si/c1-22-18-12-8-11-17(20(18)23-2)13-14-19(21)24-25(3,4)15-16-9-6-5-7-10-16/h5-14H,15H2,1-4H3/b14-13+

InChI Key

OPJQHQBXAQEMKA-BUHFOSPRSA-N

Formula

C20H24O4Si

SMILES

COc1cccc(C=CC(=O)O[Si](C)(C)Cc2ccccc2)c1OC

Molecular Weight¹

356.49

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.13	eV	Relay (1.0) Calculated Property
logPoct/wat	4.247		Crippen Calculated Property
Inp	[2601.00; 2601.00]
Inp	2601.00		NIST
Inp	2601.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 trans-2,3-Dimethoxycinnamic acid, benzyldimethylsilyl 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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