Chemical Properties of 3-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ester

InChI

InChI=1S/C12H18O3Si/c1-16(2,3)15-12(14)9-6-10-4-7-11(13)8-5-10/h4-5,7-8,13H,6,9H2,1-3H3

InChI Key

MUXJGPKMOOWFET-UHFFFAOYSA-N

Formula

C12H18O3Si

SMILES

C[Si](C)(C)OC(=O)CCc1ccc(O)cc1

Molecular Weight¹

238.35

Other Names

• Phloretic acid, tms derivative

• IE : Ionization energy (eV).
• 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
IE	8.39	eV	Relay (1.0) Calculated Property
logPoct/wat	2.703		Crippen Calculated Property
Inp	[1716.60; 1716.60]
Inp	1716.60		NIST
Inp	1716.60		NIST
Tboil	575.12	K	Relay (1.0) Calculated Property
Tfus	329.31	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, 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-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ester.

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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