- InChI
- InChI=1S/C23H45NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-22(25)21(3)24-23(26)27-5-2/h21H,4-20H2,1-3H3,(H,24,26)
- InChI Key
- GWCLXJQNIJHARS-UHFFFAOYSA-N
- Formula
- C23H45NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(
=O)OCC - Molecular Weight1
- 399.61
- 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 | 1.1604 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1143.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.536 | Crippen Calculated Property | |
| McVol | 359.790 | ml/mol | McGowan Calculated Property |
| Pc | 911.08 | kPa | Joback Calculated Property |
| Inp | [2721.00; 2721.00] |
|
|
| Inp | 2721.00 | NIST | |
| Inp | 2721.00 | NIST | |
| Tboil | 623.79 | K | Relay (1.0) Calculated Property |
| Tc | 831.30 | K | Relay (1.0) Calculated Property |
| Tfus | 326.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.380 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1220.46; 1314.31] | J/mol×K | [927.95; 1137.94] |
|
| Cp,gas | 1220.46 | J/mol×K | 927.95 | Joback Calculated Property |
| Cp,gas | 1239.66 | J/mol×K | 962.95 | Joback Calculated Property |
| Cp,gas | 1257.39 | J/mol×K | 997.95 | Joback Calculated Property |
| Cp,gas | 1273.68 | J/mol×K | 1032.94 | Joback Calculated Property |
| Cp,gas | 1288.57 | J/mol×K | 1067.94 | Joback Calculated Property |
| Cp,gas | 1302.11 | J/mol×K | 1102.94 | Joback Calculated Property |
| Cp,gas | 1314.31 | J/mol×K | 1137.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, heptadecyl ester.
Sources
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