- InChI
- InChI=1S/C14H19NO3/c1-3-18-14(17)9-10-15(12(2)16)11-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3
- InChI Key
- QCNIWBXYUVRCTE-UHFFFAOYSA-N
- Formula
- C14H19NO3
- SMILES
- CCOC(=O)CCN(Cc1ccccc1)C(C)=O
- Molecular Weight1
- 249.31
- Other Names
-
- Alanine, N-(phenylmethyl)-N-acetyl, ethyl ester
- 3-Benzyl-acetaminopropionic acid ethyl ester
- N-Benzyl-N-acetyl-3-aminopropionic acid, Ethyl ester
- Ethyl 3-(acetyl-benzyl-amino)propanoate
- 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° | -72.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 1.988 | Crippen Calculated Property | |
| McVol | 203.350 | ml/mol | McGowan Calculated Property |
| Pc | 2216.62 | kPa | Joback Calculated Property |
| Inp | 2016.00 | NIST | |
| Tboil | 689.00 | K | Joback Calculated Property |
| Tc | 893.48 | K | Joback Calculated Property |
| Tfus | 428.52 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.17; 629.65] | J/mol×K | [689.00; 893.48] | 
|
| Cp,gas | 553.17 | J/mol×K | 689.00 | Joback Calculated Property |
| Cp,gas | 568.23 | J/mol×K | 723.08 | Joback Calculated Property |
| Cp,gas | 582.32 | J/mol×K | 757.16 | Joback Calculated Property |
| Cp,gas | 595.47 | J/mol×K | 791.24 | Joback Calculated Property |
| Cp,gas | 607.72 | J/mol×K | 825.32 | Joback Calculated Property |
| Cp,gas | 619.10 | J/mol×K | 859.40 | Joback Calculated Property |
| Cp,gas | 629.65 | J/mol×K | 893.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-(benzyl-acetamino)propanoate.
Sources
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