- InChI
- InChI=1S/C12H23NO4/c1-4-6-7-8-9-17-11(14)10(3)13-12(15)16-5-2/h10H,4-9H2,1-3H3,(H,13,15)
- InChI Key
- VXMQTKSUZIKFJU-UHFFFAOYSA-N
- Formula
- C12H23NO4
- SMILES
- CCCCCCOC(=O)C(C)NC(=O)OCC
- Molecular Weight1
- 245.32
- 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° | -330.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.244 | Crippen Calculated Property | |
| McVol | 204.800 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Inp | 1659.00 | NIST | |
| Tboil | 676.27 | K | Joback Calculated Property |
| Tc | 858.80 | K | Joback Calculated Property |
| Tfus | 406.98 | K | Joback Calculated Property |
| Vc | 0.784 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.12; 649.03] | J/mol×K | [676.27; 858.80] | 
|
| Cp,gas | 572.12 | J/mol×K | 676.27 | Joback Calculated Property |
| Cp,gas | 586.74 | J/mol×K | 706.69 | Joback Calculated Property |
| Cp,gas | 600.64 | J/mol×K | 737.11 | Joback Calculated Property |
| Cp,gas | 613.82 | J/mol×K | 767.53 | Joback Calculated Property |
| Cp,gas | 626.27 | J/mol×K | 797.95 | Joback Calculated Property |
| Cp,gas | 638.01 | J/mol×K | 828.38 | Joback Calculated Property |
| Cp,gas | 649.03 | J/mol×K | 858.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, hexyl ester.
Sources
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