- InChI
- InChI=1S/C25H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)21(2)26-24(27)22-16-18-23(29-3)19-17-22/h16-19,21H,4-15,20H2,1-3H3,(H,26,27)
- InChI Key
- JSWAUQPSTAWYSX-UHFFFAOYSA-N
- Formula
- C25H41NO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)
c1ccc(OC)cc1 - Molecular Weight1
- 419.60
- 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 | 1.1782 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -893.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.058 | Crippen Calculated Property | |
| McVol | 364.210 | ml/mol | McGowan Calculated Property |
| Pc | 983.31 | kPa | Joback Calculated Property |
| Inp | 3310.00 | NIST | |
| Tboil | 682.71 | K | Relay (1.0) Calculated Property |
| Tc | 911.10 | K | Relay (1.0) Calculated Property |
| Tfus | 360.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.352 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1242.47; 1317.79] | J/mol×K | [1005.37; 1231.61] | 
|
| Cp,gas | 1242.47 | J/mol×K | 1005.37 | Joback Calculated Property |
| Cp,gas | 1258.85 | J/mol×K | 1043.08 | Joback Calculated Property |
| Cp,gas | 1273.62 | J/mol×K | 1080.78 | Joback Calculated Property |
| Cp,gas | 1286.85 | J/mol×K | 1118.49 | Joback Calculated Property |
| Cp,gas | 1298.58 | J/mol×K | 1156.20 | Joback Calculated Property |
| Cp,gas | 1308.88 | J/mol×K | 1193.90 | Joback Calculated Property |
| Cp,gas | 1317.79 | J/mol×K | 1231.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-anisoyl)-, tetradecyl ester.
Sources
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