- 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
- Acetyl-L-phenylalanine
- Acetylphenylalanine
- Alanine, N-acetyl-3-phenyl-, L-
- L-N-Acetylphenylalanine
- N-Acetyl-L-phenylalanine
- N-Acetyl-l-phenalanine
- N-Acetylphenylalanine
- N-acetyl-3-phenyl-L-alanine
- NSC 45699
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7394 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.41 | Aq. Solubility Prediction | |
| logPoct/wat | 0.818 | Crippen Calculated Property | |
| McVol | 161.080 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Tboil | 570.33 | K | Relay (1.0) Calculated Property |
| Tc | 830.09 | K | Relay (1.0) Calculated Property |
| Tfus | 396.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.65; 490.60] | J/mol×K | [727.41; 935.55] | 
|
| Cp,gas | 437.65 | J/mol×K | 727.41 | Joback Calculated Property |
| Cp,gas | 448.24 | J/mol×K | 762.10 | Joback Calculated Property |
| Cp,gas | 458.08 | J/mol×K | 796.79 | Joback Calculated Property |
| Cp,gas | 467.20 | J/mol×K | 831.48 | Joback Calculated Property |
| Cp,gas | 475.64 | J/mol×K | 866.17 | Joback Calculated Property |
| Cp,gas | 483.42 | J/mol×K | 900.86 | Joback Calculated Property |
| Cp,gas | 490.60 | J/mol×K | 935.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Phenylalanine, N-acetyl-.
Mixtures
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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