- InChI
- InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(30)23(2)28-26(29)24-18-20-25(31-3)21-19-24/h18-21,23H,4-17,22H2,1-3H3,(H,28,29)
- InChI Key
- UIYHJVULRVFZSW-UHFFFAOYSA-N
- Formula
- C27H45NO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=
O)c1ccc(OC)cc1 - Molecular Weight1
- 447.65
- 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 | 1.2497 | Relay (1.0) Calculated Property | |
| ΔfG° | -101.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.838 | Crippen Calculated Property | |
| McVol | 392.390 | ml/mol | McGowan Calculated Property |
| Pc | 874.80 | kPa | Joback Calculated Property |
| Inp | 3422.00 | NIST | |
| Tboil | 695.92 | K | Relay (1.0) Calculated Property |
| Tc | 923.82 | K | Relay (1.0) Calculated Property |
| Tfus | 363.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.460 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1367.46; 1442.81] | J/mol×K | [1051.13; 1292.61] | 
|
| Cp,gas | 1367.46 | J/mol×K | 1051.13 | Joback Calculated Property |
| Cp,gas | 1384.38 | J/mol×K | 1091.38 | Joback Calculated Property |
| Cp,gas | 1399.46 | J/mol×K | 1131.62 | Joback Calculated Property |
| Cp,gas | 1412.76 | J/mol×K | 1171.87 | Joback Calculated Property |
| Cp,gas | 1424.37 | J/mol×K | 1212.12 | Joback Calculated Property |
| Cp,gas | 1434.36 | J/mol×K | 1252.37 | Joback Calculated Property |
| Cp,gas | 1442.81 | J/mol×K | 1292.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, hexadecyl ester.
Sources
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