- InChI
- InChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)
- InChI Key
- YIVZYFDBEPMPNL-UHFFFAOYSA-N
- Formula
- C13H17NO3
- SMILES
- CCOC(=O)C(Cc1ccccc1)NC(C)=O
- Molecular Weight1
- 235.28
- CAS
- 4134-09-2
- Other Names
-
- (dl) N-acetylphenylalanine, ether ester
- ethyl 2-acetamido-3-phenylpropanoate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -104.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.76 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Aq. Sol... | |
| logPoct/wat | 1.297 | Crippen Calculated Property | |
| McVol | 189.260 | ml/mol | McGowan Calculated Property |
| Pc | 2487.55 | kPa | Joback Calculated Property |
| Tboil | 703.41 | K | Joback Calculated Property |
| Tc | 916.73 | K | Joback Calculated Property |
| Tfus | 422.44 | K | Joback Calculated Property |
| Vc | 0.715 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.47; 586.23] | J/mol×K | [703.41; 916.73] | 
|
| Cp,gas | 515.47 | J/mol×K | 703.41 | Joback Calculated Property |
| Cp,gas | 529.58 | J/mol×K | 738.96 | Joback Calculated Property |
| Cp,gas | 542.73 | J/mol×K | 774.52 | Joback Calculated Property |
| Cp,gas | 554.94 | J/mol×K | 810.07 | Joback Calculated Property |
| Cp,gas | 566.24 | J/mol×K | 845.63 | Joback Calculated Property |
| Cp,gas | 576.66 | J/mol×K | 881.18 | Joback Calculated Property |
| Cp,gas | 586.23 | J/mol×K | 916.73 | Joback Calculated Property |
| ΔvapH | 82.40 | kJ/mol | 483.00 | NIST |
Similar Compounds
Find more compounds similar to dl-Ethyl 2-acetamido-3-phenylpropionate.
Sources
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