- InChI
- InChI=1S/C16H24N2O3/c1-5-21-16(20)18-14(11(2)3)15(19)17-12(4)13-9-7-6-8-10-13/h6-12,14H,5H2,1-4H3,(H,17,19)(H,18,20)/t12-,14+/m0/s1
- InChI Key
- GPURSIJORGNZPY-GXTWGEPZSA-N
- Formula
- C16H24N2O3
- SMILES
-
CCOC(=O)NC(C(=O)NC(C)c1ccccc1)
C(C)C - Molecular Weight1
- 292.37
- 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° | 4.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 2.634 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | 2093.00 | NIST | |
| Tboil | 821.34 | K | Joback Calculated Property |
| Tc | 1034.39 | K | Joback Calculated Property |
| Tfus | 478.91 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.56; 807.29] | J/mol×K | [821.34; 1034.39] | 
|
| Cp,gas | 735.56 | J/mol×K | 821.34 | Joback Calculated Property |
| Cp,gas | 750.20 | J/mol×K | 856.85 | Joback Calculated Property |
| Cp,gas | 763.71 | J/mol×K | 892.36 | Joback Calculated Property |
| Cp,gas | 776.13 | J/mol×K | 927.86 | Joback Calculated Property |
| Cp,gas | 787.51 | J/mol×K | 963.37 | Joback Calculated Property |
| Cp,gas | 797.88 | J/mol×K | 998.88 | Joback Calculated Property |
| Cp,gas | 807.29 | J/mol×K | 1034.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Val, N-ethoxycarbonyl, (S)-1-phenylethylamide.
Sources
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