- InChI
- InChI=1S/C26H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26(29)22(2)27-25(28)23-18-17-19-24(21-23)30-3/h17-19,21-22H,4-16,20H2,1-3H3,(H,27,28)
- InChI Key
- CWKOORSTSZMDQA-UHFFFAOYSA-N
- Formula
- C26H43NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O
)c1cccc(OC)c1 - Molecular Weight1
- 433.62
- 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 | 1.2095 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.448 | Crippen Calculated Property | |
| McVol | 378.300 | ml/mol | McGowan Calculated Property |
| Pc | 926.68 | kPa | Joback Calculated Property |
| Inp | [3351.00; 3351.00] |
|
|
| Inp | 3351.00 | NIST | |
| Inp | 3351.00 | NIST | |
| Tboil | 687.32 | K | Relay (1.0) Calculated Property |
| Tc | 918.55 | K | Relay (1.0) Calculated Property |
| Tfus | 347.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.405 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1304.79; 1380.16] | J/mol×K | [1028.25; 1261.50] |
|
| Cp,gas | 1304.79 | J/mol×K | 1028.25 | Joback Calculated Property |
| Cp,gas | 1321.43 | J/mol×K | 1067.13 | Joback Calculated Property |
| Cp,gas | 1336.35 | J/mol×K | 1106.00 | Joback Calculated Property |
| Cp,gas | 1349.62 | J/mol×K | 1144.88 | Joback Calculated Property |
| Cp,gas | 1361.30 | J/mol×K | 1183.75 | Joback Calculated Property |
| Cp,gas | 1371.46 | J/mol×K | 1222.63 | Joback Calculated Property |
| Cp,gas | 1380.16 | J/mol×K | 1261.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(3-anisoyl)-, pentadecyl ester.
Sources
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