Chemical Properties of N-Phenylacetyl glycine, trimethylsilyl-

InChI

InChI=1S/C13H19NO3Si/c1-18(2,3)17-13(16)10-14-12(15)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)

InChI Key

NUCQPVCNCWCHMW-UHFFFAOYSA-N

Formula

C13H19NO3Si

SMILES

C[Si](C)(C)OC(=O)CNC(=O)Cc1ccccc1

Molecular Weight¹

265.38

Other Names

• Phenaceturic acid, trimethylsilyl ester
• Glycine, N-phenylacetyl, mono-TMS

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• 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
ΔfH°gas	-622.47	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	81.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-2.15		Relay (1.0) Calculated Property
logPoct/wat	1.723		Crippen Calculated Property
Pc	1709.09	kPa	Relay (1.0-beta) Calculated Property
Inp	[1866.00; 1896.60]
Inp	1866.00		NIST
Inp	1866.00		NIST
Inp	1896.60		NIST
Inp	1866.00		NIST
Tboil	584.81	K	Relay (1.0) Calculated Property
Tfus	339.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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 N-Phenylacetyl glycine, trimethylsilyl-.

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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