Chemical Properties of L-Phenylalanine, N-acetyl- (CAS 2018-61-3)

InChI

InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

InChI Key

CBQJSKKFNMDLON-JTQLQIEISA-N

Formula

C11H13NO3

SMILES

CC(=O)NC(Cc1ccccc1)C(=O)O

Molecular Weight¹

207.23

CAS

2018-61-3

Other Names

• 2-acetamido-3-phenylpropanoic acid
• Acetylphenylalanine
• Alanine, N-acetyl-3-phenyl-, L-
• L-N-Acetylphenylalanine
• N-Acetyl-l-phenalanine
• N-Acetylphenylalanine
• N-acetyl-3-phenyl-L-alanine
• N-acetyl-L-phenylalanine
• NSC 45699
• acetyl-L-phenylalanine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.99; 505.53]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.19490e+01
Coefficient B			1.07482e+00
Coefficient C			-7.11500e-04
Coefficient D			1.74160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.99	J/mol×K	273.00	Calculated Property
Cp,gas	266.96	J/mol×K	353.78	Calculated Property
Cp,gas	315.05	J/mol×K	434.56	Calculated Property
Cp,gas	356.82	J/mol×K	515.33	Calculated Property
Cp,gas	392.82	J/mol×K	596.11	Calculated Property
Cp,gas	423.60	J/mol×K	676.89	Calculated Property
Cp,gas	449.71	J/mol×K	757.67	Calculated Property
Cp,gas	471.70	J/mol×K	838.44	Calculated Property
Cp,gas	490.13	J/mol×K	919.22	Calculated Property
Cp,gas	505.53	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Mixtures

• Carbon dioxide + L-Phenylalanine, N-acetyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Measurements of the solubilities of derivatized amino acids in supercritical carbon dioxide
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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