- InChI
- InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
- InChI Key
- COLNVLDHVKWLRT-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- NC(Cc1ccccc1)C(=O)O
- Molecular Weight1
- 165.19
- Other Names
-
- (.+/-.)-Phenylalanine
- (S)-(-)-phenylalanine
- 2-Amino-3-phenylpropionic acid, dl-
- Alanine, phenyl-, DL-
- DL-2-Amino-3-phenylpropanoic acid
- DL-3-Phenylalanine
- DL-«alpha»-Amino-«beta»-phenylpropionic acid
- DL-«beta»-Phenyl-«alpha»-alanine
- DL-«beta»-Phenylalanine
- DLPA
- L-phenylalanine
- NSC 9959
- Phenylalanine
- «beta»-Phenylalanine, dl-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 0.7043 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-4664.30; -4653.00] | kJ/mol |
|
| ΔcH°solid | -4653.00 ± 2.50 | kJ/mol | NIST |
| ΔcH°solid | -4664.30 | kJ/mol | NIST |
| ΔfH°gas | -292.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -460.60 ± 2.60 | kJ/mol | NIST |
| ΔfusH° | 18.46 | kJ/mol | Solubility of L-Phenylalanine Anhydrous and Monohydrate Forms: Experimental Measurements and Predictions |
| ΔvapH° | 86.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.40; 9.40] | eV |
|
| IE | 8.40 | eV | NIST |
| IE | 8.50 | eV | NIST |
| IE | 8.40 | eV | NIST |
| IE | 8.40 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 9.40 | eV | NIST |
| log10WS | -1.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.641 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Tboil | 567.57 | K | Relay (1.0) Calculated Property |
| Tc | 794.25 | K | Relay (1.0) Calculated Property |
| Tfus | 459.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
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 | [172.83; 412.41] | 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 | -2.97890e+01 | |||
| Coefficient B | 8.98500e-01 | |||
| Coefficient C | -6.16200e-04 | |||
| Coefficient D | 1.59900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 218.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 291.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 320.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 345.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 384.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 399.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 412.41 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to DL-PHENYLALANINE.
Mixtures
- DL-PHENYLALANINE + Methyl Alcohol + Water
- DL-PHENYLALANINE + Ethanol + Water
- DL-PHENYLALANINE + Water
- DL-PHENYLALANINE + Water + L-Arabinose
- Glucose + DL-PHENYLALANINE + Water
- Sucrose + DL-PHENYLALANINE + Water
- sodium chloride + DL-PHENYLALANINE + Water
- DL-PHENYLALANINE + Sodium nitrate + Water
- DL-PHENYLALANINE + Acetone
- DL-PHENYLALANINE + Ethanol
- DL-PHENYLALANINE + Acetone + Water
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility of L-phenylalanine in water and different binary mixtures from 288.15 to 318.15 K
- Interactions in (L-phenylalanine/L-histidine + 0.01 mol kg-1 aqueous beta-cyclodextrin) systems at T = (293.15, 298.15, 303.15 and 308.15) K
- Physicochemical and friccohesity study of glycine, L-alanine and L-phenylalanine with aqueous methyltrioctylammonium and cetylpyridinium chloride from T = (293.15 to 308.15) K
- Physicochemical study of solute-solute and solute-solvent interactions of l-phenylalanine in (water + arabinose/glucose/sucrose) solutions at different temperatures
- Solute-solvent interactions of amino acid L-phenylalanine in aqueous 1-butyl-2,3-dimethylimidazolium bromide ionic liquid solutions
- Influence of the composition of aqueous-alcohol solvents on the thermodynamic characteristics of Lphenylalanine dissolution at 298.15K
- Enthalpies of solution of L-phenylalanine in aqueous solution of amides at 298.15 K.
- Amino acid behavior in aqueous amide solutions: Temperature dependence ofthe l-phenylalanine N,N-dimethylformamide interaction
- Viscosities of l-Phenylalanine, l-Leucine, l-Glutamic Acid, or l-Proline + 2.0 mol*dm-3 Aqueous NaCl or 2.0 mol*dm-3 Aqueous NaNO3 Solutions at T = (298.15 to 328.15) K
- Solubility of L-Phenylalanine Anhydrous and Monohydrate Forms: Experimental Measurements and Predictions
- Binary Diffusion Coefficients of Aqueous Phenylalanine, Tyrosine Isomers, and Aminobutyric Acids at Infinitesimal Concentration and Temperatures from (293.2 to 333.2) K
- Ultrasonic Velocities and Densities of l-Phenylalanine, l-Leucine, l-Glutamic Acid, and l-Proline + 2 mol*L-1 Aqueous NaCl and 2 mol*L-1 Aqueous NaNO3 Solutions from (298.15 to 328.15) K
- Joback Method
- McGowan Method
- NIST Webbook
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