- InChI
- InChI=1S/C24H31N3O4/c1-5-31-24(30)27(4)21(23(29)26-18(3)20-14-10-7-11-15-20)16-22(28)25-17(2)19-12-8-6-9-13-19/h6-15,17-18,21H,5,16H2,1-4H3,(H,25,28)(H,26,29)/t17-,18+,21+/m0/s1
- InChI Key
- KWSQQULDQQMNPS-WAOWUJCRSA-N
- Formula
- C24H31N3O4
- SMILES
-
CCOC(=O)N(C)C(CC(=O)NC(C)c1ccc
cc1)C(=O)NC(C)c1ccccc1 - Molecular Weight1
- 425.52
- 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° | 166.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 3.588 | Crippen Calculated Property | |
| McVol | 342.020 | ml/mol | McGowan Calculated Property |
| Pc | 1434.80 | kPa | Joback Calculated Property |
| Inp | 3170.00 | NIST | |
| Tboil | 1097.37 | K | Joback Calculated Property |
| Tc | 1344.27 | K | Joback Calculated Property |
| Tfus | 677.89 | K | Joback Calculated Property |
| Vc | 1.270 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1152.12; 1204.16] | J/mol×K | [1097.37; 1344.27] | 
|
| Cp,gas | 1152.12 | J/mol×K | 1097.37 | Joback Calculated Property |
| Cp,gas | 1163.51 | J/mol×K | 1138.52 | Joback Calculated Property |
| Cp,gas | 1173.65 | J/mol×K | 1179.67 | Joback Calculated Property |
| Cp,gas | 1182.66 | J/mol×K | 1220.82 | Joback Calculated Property |
| Cp,gas | 1190.66 | J/mol×K | 1261.97 | Joback Calculated Property |
| Cp,gas | 1197.79 | J/mol×K | 1303.12 | Joback Calculated Property |
| Cp,gas | 1204.16 | J/mol×K | 1344.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Aspartic acid, N-methyl, N-ethoxycarbonyl, (S)-1-phenylethylamide.
Sources
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