Chemical Properties of Isovanilline, MO TMS

InChI

InChI=1S/C12H19NO3Si/c1-14-11-7-6-10(9-13-15-2)8-12(11)16-17(3,4)5/h6-9H,1-5H3/b13-9+

InChI Key

XPJSIAMLVGTQRF-LCYFTJDESA-N

Formula

C12H19NO3Si

SMILES

CO/N=C\c1ccc(OC)c(O[Si](C)(C)C)c1

Molecular Weight¹

253.37

• IE : Ionization energy (eV).
• 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

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 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 Isovanilline, MO 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

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