Chemical Properties of L-Phenylalanine, N-acetyl-, methyl ester (CAS 3618-96-0)

InChI

InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1

InChI Key

IKGHIFGXPVLPFD-NSHDSACASA-N

Formula

C12H15NO3

SMILES

COC(=O)C(Cc1ccccc1)N=C(C)O

Molecular Weight¹

221.25

CAS

3618-96-0

Other Names

• Alanine, N-acetyl-3-phenyl-, methyl ester, L-
• (S)-N-Acetyl-3-phenylalanine methyl ester
• Acetyl-L-phenylalanine methyl ester
• Methyl N-acetyl-L-phenylalaninate
• N-Acetyl-L-phenylalanine methyl ester
• N-Acetylphenylalanine methyl ester
• Methyl (S)-2-(acetylamino)-3-phenylpropanoate
• Methyl N-acetylphenylalaninate

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-384.36	kJ/mol	Joback Calculated Property
ΔvapH°	73.42	kJ/mol	Joback Calculated Property
log10WS	-1.91		Crippen Calculated Property
logPoct/wat	1.747		Crippen Calculated Property
McVol	175.170	ml/mol	McGowan Calculated Property
Pc	2517.59	kPa	Joback Calculated Property
Inp	[1714.60; 1714.60]
Inp	1714.60		NIST
Inp	1714.60		NIST
Tboil	745.23	K	Joback Calculated Property
Tc	958.17	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Phenylalanine, N-acetyl-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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