Chemical Properties of Glycine, N-benzoyl-, tert-butyldimethylsilyl ester

InChI

InChI=1S/C15H23NO3Si/c1-15(2,3)20(4,5)19-13(17)11-16-14(18)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,16,18)

InChI Key

AUAFREORTBXLPU-UHFFFAOYSA-N

Formula

C15H23NO3Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)c1ccccc1

Molecular Weight¹

293.44

Other Names

• Hippuric acid, tert-butyldimethylsilyl ester
• tert-Butyl(dimethyl)silyl N-benzoylglycinate
• Hippuric acid, DMTBS
• Hippuric acid, tbdms derivative

• 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

Property	Value	Unit	Source
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-3.41		Relay (1.0) Calculated Property
logPoct/wat	2.965		Crippen Calculated Property
Inp	[2095.00; 2113.60]
Inp	2113.60		NIST
Inp	2095.00		NIST
Inp	2113.60		NIST
Tboil	593.41	K	Relay (1.0) Calculated Property
Tfus	382.86	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 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 Glycine, N-benzoyl-, tert-butyldimethylsilyl 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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