- InChI
- InChI=1S/C17H33NO4/c1-4-6-7-8-9-10-11-12-13-14-22-16(19)15(3)18-17(20)21-5-2/h15H,4-14H2,1-3H3,(H,18,20)
- InChI Key
- JRSUGIDHUKPTSP-UHFFFAOYSA-N
- Formula
- C17H33NO4
- SMILES
- CCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
- Molecular Weight1
- 315.45
- 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 | 0.9488 | Relay (1.0) Calculated Property | |
| ΔfG° | -288.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1021.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.195 | Crippen Calculated Property | |
| McVol | 275.250 | ml/mol | McGowan Calculated Property |
| Pc | 1334.91 | kPa | Joback Calculated Property |
| Inp | [2139.00; 2139.00] |
|
|
| Inp | 2139.00 | NIST | |
| Inp | 2139.00 | NIST | |
| Tboil | 582.08 | K | Relay (1.0) Calculated Property |
| Tc | 781.48 | K | Relay (1.0) Calculated Property |
| Tfus | 303.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.048 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.75; 939.76] | J/mol×K | [790.67; 975.04] |
|
| Cp,gas | 853.75 | J/mol×K | 790.67 | Joback Calculated Property |
| Cp,gas | 870.46 | J/mol×K | 821.40 | Joback Calculated Property |
| Cp,gas | 886.20 | J/mol×K | 852.13 | Joback Calculated Property |
| Cp,gas | 900.99 | J/mol×K | 882.86 | Joback Calculated Property |
| Cp,gas | 914.84 | J/mol×K | 913.59 | Joback Calculated Property |
| Cp,gas | 927.76 | J/mol×K | 944.31 | Joback Calculated Property |
| Cp,gas | 939.76 | J/mol×K | 975.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, undecyl ester.
Sources
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