Chemical Properties of Vanillic acid, TBDMS

InChI

InChI=1S/C20H36O4Si2/c1-19(2,3)25(8,9)23-16-13-12-15(14-17(16)22-7)18(21)24-26(10,11)20(4,5)6/h12-14H,1-11H3

InChI Key

HKVCRFBFJCHXIE-UHFFFAOYSA-N

Formula

C20H36O4Si2

SMILES

COc1cc(C(=O)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C

Molecular Weight¹

396.67

Other Names

• Vanillic acid, diTBDMS

• 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
logPoct/wat	6.241		Crippen Calculated Property
Inp	[2228.00; 2264.00]
Inp	2259.00		NIST
Inp	2264.00		NIST
Inp	2259.00		NIST
Inp	2228.00		NIST
Tboil	608.71	K	Relay (1.0) Calculated Property
Tfus	379.10	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, 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 Vanillic acid, TBDMS.

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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