- InChI
- InChI=1S/C28H47NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(31)24(3)29-27(30)26-21-19-25(5-2)20-22-26/h19-22,24H,4-18,23H2,1-3H3,(H,29,30)
- InChI Key
- MHTYRACCJITXEY-UHFFFAOYSA-N
- Formula
- C28H47NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=
O)c1ccc(CC)cc1 - Molecular Weight1
- 445.68
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 11.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.81 | kJ/mol | Joback Calculated Property |
| log10WS | -9.13 | Crippen Calculated Property | |
| logPoct/wat | 7.392 | Crippen Calculated Property | |
| McVol | 400.610 | ml/mol | McGowan Calculated Property |
| Pc | 835.31 | kPa | Joback Calculated Property |
| Inp | 3435.00 | NIST | |
| Tboil | 1051.59 | K | Joback Calculated Property |
| Tc | 1293.59 | K | Joback Calculated Property |
| Tfus | 604.01 | K | Joback Calculated Property |
| Vc | 1.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1402.28; 1488.84] | J/mol×K | [1051.59; 1293.59] | 
|
| Cp,gas | 1402.28 | J/mol×K | 1051.59 | Joback Calculated Property |
| Cp,gas | 1420.56 | J/mol×K | 1091.92 | Joback Calculated Property |
| Cp,gas | 1437.17 | J/mol×K | 1132.26 | Joback Calculated Property |
| Cp,gas | 1452.20 | J/mol×K | 1172.59 | Joback Calculated Property |
| Cp,gas | 1465.75 | J/mol×K | 1212.92 | Joback Calculated Property |
| Cp,gas | 1477.93 | J/mol×K | 1253.26 | Joback Calculated Property |
| Cp,gas | 1488.84 | J/mol×K | 1293.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, hexadecyl ester.
Sources
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