Chemical Properties of PHENYLETHYLMALONIC ACID, BIS(TRIMETHYLSILYL) ESTER

InChI

InChI=1S/C17H28O4Si2/c1-8-17(14-12-10-9-11-13-14,15(18)20-22(2,3)4)16(19)21-23(5,6)7/h9-13H,8H2,1-7H3

InChI Key

XZKIYKRYUAODMJ-UHFFFAOYSA-N

Formula

C17H28O4Si2

SMILES

CCC(C(=O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)c1ccccc1

Molecular Weight¹

352.58

Other Names

• Phenylethylmalonic acid, di-TMS

• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	4.091		Crippen Calculated Property
Inp	[1700.00; 1725.00]
Inp	1700.00		NIST
Inp	1725.00		NIST
Inp	1700.00		NIST
Tfus	347.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 PHENYLETHYLMALONIC ACID, BIS(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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