- InChI
- InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/t14-/m0/s1
- InChI Key
- NPKISZUVEBESJI-AWEZNQCLSA-N
- Formula
- C16H15NO3
- SMILES
-
O=C(NC(Cc1ccccc1)C(=O)O)c1cccc
c1 - Molecular Weight1
- 269.30
- CAS
- 2566-22-5
- Other Names
-
- N-Benzoyl-l-phenylalanine
- Benzoyl-l-phenylalanine
- L-BPA
- N-Benzoylphenylalanine, L-
- (2S)-2-(Benzoylamino)-3-phenylpropanoic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -7941.40 | kJ/mol | NIST |
| ΔfG° | 0.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 2.112 | Crippen Calculated Property | |
| McVol | 207.770 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Tboil | 868.49 | K | Joback Calculated Property |
| Tc | 1096.36 | K | Joback Calculated Property |
| Tfus | 521.26 | K | Joback Calculated Property |
| Vc | 0.775 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [608.70; 660.33] | J/mol×K | [868.49; 1096.36] | 
|
| Cp,gas | 608.70 | J/mol×K | 868.49 | Joback Calculated Property |
| Cp,gas | 619.38 | J/mol×K | 906.47 | Joback Calculated Property |
| Cp,gas | 629.13 | J/mol×K | 944.45 | Joback Calculated Property |
| Cp,gas | 638.02 | J/mol×K | 982.43 | Joback Calculated Property |
| Cp,gas | 646.14 | J/mol×K | 1020.40 | Joback Calculated Property |
| Cp,gas | 653.55 | J/mol×K | 1058.38 | Joback Calculated Property |
| Cp,gas | 660.33 | J/mol×K | 1096.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Phenylalanine, N-benzoyl-.
Sources
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