- InChI
- InChI=1S/C25H41NO3/c1-4-6-7-8-9-10-11-12-13-14-15-20-29-25(28)21(3)26-24(27)23-18-16-22(5-2)17-19-23/h16-19,21H,4-15,20H2,1-3H3,(H,26,27)
- InChI Key
- RFOAMGMVCXIRJL-UHFFFAOYSA-N
- Formula
- C25H41NO3
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c
1ccc(CC)cc1 - Molecular Weight1
- 403.60
- 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 | 1.1158 | Relay (1.0) Calculated Property | |
| ΔfG° | -13.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.222 | Crippen Calculated Property | |
| McVol | 358.340 | ml/mol | McGowan Calculated Property |
| Pc | 993.88 | kPa | Joback Calculated Property |
| Inp | 3130.00 | NIST | |
| Tboil | 665.59 | K | Relay (1.0) Calculated Property |
| Tc | 900.63 | K | Relay (1.0) Calculated Property |
| Tfus | 337.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.332 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1213.37; 1296.58] | J/mol×K | [982.95; 1203.45] | 
|
| Cp,gas | 1213.37 | J/mol×K | 982.95 | Joback Calculated Property |
| Cp,gas | 1230.52 | J/mol×K | 1019.70 | Joback Calculated Property |
| Cp,gas | 1246.26 | J/mol×K | 1056.45 | Joback Calculated Property |
| Cp,gas | 1260.67 | J/mol×K | 1093.20 | Joback Calculated Property |
| Cp,gas | 1273.82 | J/mol×K | 1129.95 | Joback Calculated Property |
| Cp,gas | 1285.77 | J/mol×K | 1166.70 | Joback Calculated Property |
| Cp,gas | 1296.58 | J/mol×K | 1203.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, tridecyl ester.
Sources
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