- 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-/m1/s1
- InChI Key
- COLNVLDHVKWLRT-MRVPVSSYSA-N
- Formula
- C9H11NO2
- SMILES
- NC(Cc1ccccc1)C(=O)O
- Molecular Weight1
- 165.19
- CAS
- 63-91-2
- Other Names
-
- (-)-Phenylalanine
- (-)-«beta»-Phenylalanine
- (-)-«beta»-Phenylalanine
- (S)-2-Amino-3-phenylpropanoic acid
- (S)-2-Amino-3-phenylpropionic acid
- (S)-Phenylalanine
- (S)-«alpha»-Aminobenzenepropanoic acid
- (S)-«alpha»-Aminobenzenepropanoic acid
- 3-Phenyl-L-alanine
- 3-Phenylalanine
- Alanine, 3-phenyl-
- Alanine, phenyl-
- Alanine, phenyl-, L-
- Antibiotic FN 1636
- Benzenepropanoic acid, «alpha»-amino-, (S)-
- Benzenepropanoic acid, «alpha»-amino-, (S)-
- DL-3-PHENYLALANINE
- DL-PHENYLALANINE
- Hydrocinnamic acid, «alpha»-amino-
- Hydrocinnamic acid, «alpha»-amino-
- L-Alanine, 3-phenyl-
- L-Alanine, phenyl-
- L-Antibiotic FN 1636
- L-Phenylalanine
- L-«beta»-Phenylalanine
- L-«beta»-Phenylalanine
- NSC 79477
- PAL
- Phenyl-«alpha»-alanine
- Phenyl-«alpha»-alanine
- «alpha»-Amino-«beta»-phenylpropionic acid
- «alpha»-Aminohydrocinnamic acid
- «beta»-Phenyl-L-alanine
- «beta»-Phenyl-«alpha»-alanine
- «beta»-Phenyl-«alpha»-alanine, L-
- «beta»-Phenylalanine
- «alpha»-Amino-«beta»-phenylpropionic acid
- «alpha»-Aminohydrocinnamic acid
- «beta»-Phenyl-L-alanine
- «beta»-Phenyl-«alpha»-alanine
- «beta»-Phenyl-«alpha»-alanine, L-
- «beta»-Phenylalanine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| PAff | 922.90 | kJ/mol | NIST |
| BasG | 888.90 | kJ/mol | NIST |
| ΔcH°solid | [-4667.40; -4646.30] | kJ/mol |
|
| ΔcH°solid | -4646.30 ± 0.80 | kJ/mol | NIST |
| ΔcH°solid | -4667.40 | kJ/mol | NIST |
| ΔfG° | -64.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.58 | kJ/mol | Joback Calculated Property |
| log10WS | -0.92 | Aq. Sol... | |
| logPoct/wat | 0.641 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 4266.28 | kPa | Joback Calculated Property |
| S°solid,1 bar | 213.64 | J/mol×K | NIST |
| Tboil | 650.14 | K | Joback Calculated Property |
| Tc | 865.09 | K | Joback Calculated Property |
| Tfus | 396.62 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.03; 387.10] | J/mol×K | [650.14; 865.09] |
|
| Cp,gas | 335.03 | J/mol×K | 650.14 | Joback Calculated Property |
| Cp,gas | 345.39 | J/mol×K | 685.97 | Joback Calculated Property |
| Cp,gas | 355.04 | J/mol×K | 721.79 | Joback Calculated Property |
| Cp,gas | 363.99 | J/mol×K | 757.62 | Joback Calculated Property |
| Cp,gas | 372.30 | J/mol×K | 793.44 | Joback Calculated Property |
| Cp,gas | 379.99 | J/mol×K | 829.27 | Joback Calculated Property |
| Cp,gas | 387.10 | J/mol×K | 865.09 | Joback Calculated Property |
| Cp,solid | [203.01; 203.10] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 203.10 | J/mol×K | 298.15 | NIST |
| Cp,solid | 203.01 | J/mol×K | 298.15 | NIST |
| ΔsubH | [154.00; 154.00] | kJ/mol | [455.00; 455.00] |
|
| ΔsubH | 154.00 ± 0.80 | kJ/mol | 455.00 | NIST |
| ΔsubH | 154.00 ± 8.00 | kJ/mol | 455.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [3.22; 15.21] | kPa | [450.15; 468.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.12108e+01 | |||
| Coefficient B | -1.81644e+04 | |||
| Coefficient C | 5.21569e-02 | |||
| Coefficient D | -4.14026e-08 | |||
| Temperature range, min. | 450.15 | |||
| Temperature range, max. | 468.15 | |||
| Pvap | 3.22 | kPa | 450.15 | Calculated Property |
| Pvap | 3.85 | kPa | 452.15 | Calculated Property |
| Pvap | 4.59 | kPa | 454.15 | Calculated Property |
| Pvap | 5.48 | kPa | 456.15 | Calculated Property |
| Pvap | 6.52 | kPa | 458.15 | Calculated Property |
| Pvap | 7.74 | kPa | 460.15 | Calculated Property |
| Pvap | 9.19 | kPa | 462.15 | Calculated Property |
| Pvap | 10.89 | kPa | 464.15 | Calculated Property |
| Pvap | 12.88 | kPa | 466.15 | Calculated Property |
| Pvap | 15.21 | kPa | 468.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenylalanine.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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