- InChI
- InChI=1S/C26H51NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25(28)24(3)27-26(29)31-22-7-5-2/h24H,4-23H2,1-3H3,(H,27,29)
- InChI Key
- OBPINUBELRNMIF-UHFFFAOYSA-N
- Formula
- C26H51NO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC
(=O)OCCCC - Molecular Weight1
- 441.69
- 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 | 1.2733 | Relay (1.0) Calculated Property | |
| ΔfG° | -212.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1196.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.706 | Crippen Calculated Property | |
| McVol | 402.060 | ml/mol | McGowan Calculated Property |
| Pc | 771.18 | kPa | Joback Calculated Property |
| Inp | [3053.00; 3053.00] |
|
|
| Inp | 3053.00 | NIST | |
| Inp | 3053.00 | NIST | |
| Tboil | 643.12 | K | Relay (1.0) Calculated Property |
| Tc | 854.05 | K | Relay (1.0) Calculated Property |
| Tfus | 326.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.544 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1411.28; 1508.63] | J/mol×K | [996.59; 1233.25] |
|
| Cp,gas | 1411.28 | J/mol×K | 996.59 | Joback Calculated Property |
| Cp,gas | 1432.12 | J/mol×K | 1036.03 | Joback Calculated Property |
| Cp,gas | 1451.03 | J/mol×K | 1075.48 | Joback Calculated Property |
| Cp,gas | 1468.07 | J/mol×K | 1114.92 | Joback Calculated Property |
| Cp,gas | 1483.30 | J/mol×K | 1154.36 | Joback Calculated Property |
| Cp,gas | 1496.80 | J/mol×K | 1193.81 | Joback Calculated Property |
| Cp,gas | 1508.63 | J/mol×K | 1233.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-butoxycarbonyl-, octadecyl ester.
Sources
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