- InChI
- InChI=1S/C9H12N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)
- InChI Key
- KHZVLGLEHBZEPO-UHFFFAOYSA-N
- Formula
- C9H12N2O2
- SMILES
- NNC(Cc1ccccc1)C(=O)O
- Molecular Weight1
- 180.20
- CAS
- 1421-34-7
- 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 |
|---|---|---|---|
| ΔfG° | 24.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.52 | Crippen Calculated Property | |
| logPoct/wat | 0.146 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 700.31 | K | Joback Calculated Property |
| Tc | 914.56 | K | Joback Calculated Property |
| Tfus | 449.28 | K | Joback Calculated Property |
| Vc | 0.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.27; 431.90] | J/mol×K | [700.31; 914.56] | 
|
| Cp,gas | 381.27 | J/mol×K | 700.31 | Joback Calculated Property |
| Cp,gas | 391.41 | J/mol×K | 736.02 | Joback Calculated Property |
| Cp,gas | 400.82 | J/mol×K | 771.73 | Joback Calculated Property |
| Cp,gas | 409.53 | J/mol×K | 807.44 | Joback Calculated Property |
| Cp,gas | 417.59 | J/mol×K | 843.15 | Joback Calculated Property |
| Cp,gas | 425.03 | J/mol×K | 878.86 | Joback Calculated Property |
| Cp,gas | 431.90 | J/mol×K | 914.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alanine, n-amino-3-phenyl-, dl-.
Sources
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