Chemical Properties of Vanillin, tert-butyldimethylsilyl ether

InChI

InChI=1S/C14H22O3Si/c1-14(2,3)18(5,6)17-12-8-7-11(10-15)9-13(12)16-4/h7-10H,1-6H3

InChI Key

UBTYFBWZRXUZFF-UHFFFAOYSA-N

Formula

C14H22O3Si

SMILES

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

Molecular Weight¹

266.41

Other Names

• Vanillin, tbdms derivative

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

Physical Properties

Property	Value	Unit	Source
ΔvapH°	69.96	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	3.892		Crippen Calculated Property
Inp	[1796.10; 1796.10]
Inp	1796.10		NIST
Inp	1796.10		NIST
Tboil	579.79	K	Relay (1.0) Calculated Property
Tfus	365.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 Vanillin, tert-butyldimethylsilyl ether.

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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