- InChI
- InChI=1S/C13H25NO4/c1-4-6-7-8-9-10-18-12(15)11(3)14-13(16)17-5-2/h11H,4-10H2,1-3H3,(H,14,16)
- InChI Key
- MLBJUTHIZUXARJ-UHFFFAOYSA-N
- Formula
- C13H25NO4
- SMILES
- CCCCCCCOC(=O)C(C)NC(=O)OCC
- Molecular Weight1
- 259.34
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8048 | Relay (1.0) Calculated Property | |
| ΔfG° | -322.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -943.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.635 | Crippen Calculated Property | |
| McVol | 218.890 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Inp | 1761.00 | NIST | |
| Tboil | 549.73 | K | Relay (1.0) Calculated Property |
| Tc | 740.72 | K | Relay (1.0) Calculated Property |
| Tfus | 282.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.17; 705.33] | J/mol×K | [699.15; 881.01] | 
|
| Cp,gas | 626.17 | J/mol×K | 699.15 | Joback Calculated Property |
| Cp,gas | 641.27 | J/mol×K | 729.46 | Joback Calculated Property |
| Cp,gas | 655.61 | J/mol×K | 759.77 | Joback Calculated Property |
| Cp,gas | 669.18 | J/mol×K | 790.08 | Joback Calculated Property |
| Cp,gas | 681.98 | J/mol×K | 820.39 | Joback Calculated Property |
| Cp,gas | 694.03 | J/mol×K | 850.70 | Joback Calculated Property |
| Cp,gas | 705.33 | J/mol×K | 881.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, heptyl ester.
Sources
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