Chemical Properties of 3-Phenoxypropionic acid, TBDMS

InChI

InChI=1S/C21H28O3Si/c1-21(2,3)25(4,5)24-20(22)15-14-17-10-9-13-19(16-17)23-18-11-7-6-8-12-18/h6-13,16H,14-15H2,1-5H3

InChI Key

IFIOMBICNDCWQO-UHFFFAOYSA-N

Formula

C21H28O3Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

356.53

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

Physical Properties

Cheméo can also estimate 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 3-Phenoxypropionic 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

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