Chemical Properties of Benzyl (E)-isoferulate, TMS

InChI

InChI=1S/C20H24O4Si/c1-22-18-12-10-16(14-19(18)24-25(2,3)4)11-13-20(21)23-15-17-8-6-5-7-9-17/h5-14H,15H2,1-4H3/b13-11+

InChI Key

BSQMZKMLQHRBCC-ACCUITESSA-N

Formula

C20H24O4Si

SMILES

COc1ccc(C=CC(=O)OCc2ccccc2)cc1O[Si](C)(C)C

Molecular Weight¹

356.49

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	4.665		Crippen Calculated Property
Inp	[2600.00; 2600.00]
Inp	2600.00		NIST
Inp	2600.00		NIST
Tboil	659.61	K	Relay (1.0) Calculated Property
Tfus	374.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 Benzyl (E)-isoferulate, 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.