- InChI
- InChI=1S/C12H15NO4/c1-8(12(15)17-3)13-11(14)9-4-6-10(16-2)7-5-9/h4-8H,1-3H3,(H,13,14)
- InChI Key
- NBJPKALADHUJAA-UHFFFAOYSA-N
- Formula
- C12H15NO4
- SMILES
- COC(=O)C(C)NC(=O)c1ccc(OC)cc1
- Molecular Weight1
- 237.25
- Other Names
-
- L-Alanine, N-(anisoyl)-, methyl ester
- L-Alanine, N-(o-anisoyl)-, methyl ester
- 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).
- Inp : Non-polar retention indices.
- 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° | -227.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.60 | kJ/mol | Joback Calculated Property |
| log10WS | -2.17 | Crippen Calculated Property | |
| logPoct/wat | 0.986 | Crippen Calculated Property | |
| McVol | 181.040 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | 1927.00 | NIST | |
| Tboil | 707.93 | K | Joback Calculated Property |
| Tc | 923.05 | K | Joback Calculated Property |
| Tfus | 445.92 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.91; 553.62] | J/mol×K | [707.93; 923.05] | 
|
| Cp,gas | 487.91 | J/mol×K | 707.93 | Joback Calculated Property |
| Cp,gas | 501.12 | J/mol×K | 743.78 | Joback Calculated Property |
| Cp,gas | 513.42 | J/mol×K | 779.64 | Joback Calculated Property |
| Cp,gas | 524.82 | J/mol×K | 815.49 | Joback Calculated Property |
| Cp,gas | 535.31 | J/mol×K | 851.35 | Joback Calculated Property |
| Cp,gas | 544.91 | J/mol×K | 887.20 | Joback Calculated Property |
| Cp,gas | 553.62 | J/mol×K | 923.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Alanine, N-(p-anisoyl)-, methyl ester.
Sources
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