- InChI
- InChI=1S/C24H39NO3/c1-4-6-7-8-9-10-11-12-13-14-19-28-24(27)20(3)25-23(26)22-17-15-21(5-2)16-18-22/h15-18,20H,4-14,19H2,1-3H3,(H,25,26)
- InChI Key
- WDMIBDXWSLHAIR-UHFFFAOYSA-N
- Formula
- C24H39NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(C)NC(=O)c1
ccc(CC)cc1 - Molecular Weight1
- 389.57
- 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 | 1.0798 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -762.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.831 | Crippen Calculated Property | |
| McVol | 344.250 | ml/mol | McGowan Calculated Property |
| Pc | 1056.88 | kPa | Joback Calculated Property |
| Inp | 3029.00 | NIST | |
| Tboil | 658.79 | K | Relay (1.0) Calculated Property |
| Tc | 893.83 | K | Relay (1.0) Calculated Property |
| Tfus | 335.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.277 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1151.27; 1233.57] | J/mol×K | [960.07; 1175.65] | 
|
| Cp,gas | 1151.27 | J/mol×K | 960.07 | Joback Calculated Property |
| Cp,gas | 1168.12 | J/mol×K | 996.00 | Joback Calculated Property |
| Cp,gas | 1183.64 | J/mol×K | 1031.93 | Joback Calculated Property |
| Cp,gas | 1197.88 | J/mol×K | 1067.86 | Joback Calculated Property |
| Cp,gas | 1210.91 | J/mol×K | 1103.79 | Joback Calculated Property |
| Cp,gas | 1222.79 | J/mol×K | 1139.72 | Joback Calculated Property |
| Cp,gas | 1233.57 | J/mol×K | 1175.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester.
Sources
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