Chemical Properties of N-acetyl-l-phenylalanine, trimethylsilyl ester

InChI

InChI=1S/C14H21NO3Si/c1-11(16)15-13(14(17)18-19(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,15,16)

InChI Key

QNPZCOJGKNQLHK-UHFFFAOYSA-N

Formula

C14H21NO3Si

SMILES

CC(=O)NC(Cc1ccccc1)C(=O)O[Si](C)(C)C

Molecular Weight¹

279.41

Other Names

• Trimethylsilyl N-acetylphenylalaninate
• Phe, N-acetyl, TMS
• N-acetyl-l-phenylalanine, tms derivative

• 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.
• 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
ΔvapH°	87.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	2.112		Crippen Calculated Property
Inp	[1790.00; 1816.80]
Inp	1790.00		NIST
Inp	1816.80		NIST
Inp	1790.00		NIST
Tboil	582.02	K	Relay (1.0) Calculated Property
Tfus	323.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 N-acetyl-l-phenylalanine, 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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