- InChI
- InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-11-12-13-14-19-29-24(27)20(2)25-23(26)21-15-17-22(28-3)18-16-21/h15-18,20H,4-14,19H2,1-3H3,(H,25,26)
- InChI Key
- GOUMANAZIBHHCT-UHFFFAOYSA-N
- Formula
- C24H39NO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c
1ccc(OC)cc1 - Molecular Weight1
- 405.57
- 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 | 1.1423 | Relay (1.0) Calculated Property | |
| ΔfG° | -126.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.668 | Crippen Calculated Property | |
| McVol | 350.120 | ml/mol | McGowan Calculated Property |
| Pc | 1045.30 | kPa | Joback Calculated Property |
| Inp | 3117.00 | NIST | |
| Tboil | 675.98 | K | Relay (1.0) Calculated Property |
| Tc | 904.56 | K | Relay (1.0) Calculated Property |
| Tfus | 358.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.297 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1180.53; 1255.76] | J/mol×K | [982.49; 1202.86] | 
|
| Cp,gas | 1180.53 | J/mol×K | 982.49 | Joback Calculated Property |
| Cp,gas | 1196.67 | J/mol×K | 1019.22 | Joback Calculated Property |
| Cp,gas | 1211.31 | J/mol×K | 1055.95 | Joback Calculated Property |
| Cp,gas | 1224.49 | J/mol×K | 1092.68 | Joback Calculated Property |
| Cp,gas | 1236.26 | J/mol×K | 1129.40 | Joback Calculated Property |
| Cp,gas | 1246.67 | J/mol×K | 1166.13 | Joback Calculated Property |
| Cp,gas | 1255.76 | J/mol×K | 1202.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, tridecyl ester.
Sources
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