- InChI
- InChI=1S/C23H32F5NO3/c1-2-3-4-5-6-7-8-9-13-16-32-20(30)19(17-18-14-11-10-12-15-18)29-21(31)22(24,25)23(26,27)28/h10-12,14-15,19H,2-9,13,16-17H2,1H3,(H,29,31)
- InChI Key
- OAKAJNFXZMKPEU-UHFFFAOYSA-N
- Formula
- C23H32F5NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C(Cc1ccccc1)N
C(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 465.50
- 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° | -989.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1588.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.34 | kJ/mol | Joback Calculated Property |
| log10WS | -7.47 | Crippen Calculated Property | |
| logPoct/wat | 5.986 | Crippen Calculated Property | |
| McVol | 339.010 | ml/mol | McGowan Calculated Property |
| Pc | 1006.53 | kPa | Joback Calculated Property |
| Inp | 2379.00 | NIST | |
| Tboil | 922.10 | K | Joback Calculated Property |
| Tc | 1128.92 | K | Joback Calculated Property |
| Tfus | 542.93 | K | Joback Calculated Property |
| Vc | 1.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1125.97; 1205.34] | J/mol×K | [922.10; 1128.92] | 
|
| Cp,gas | 1125.97 | J/mol×K | 922.10 | Joback Calculated Property |
| Cp,gas | 1141.54 | J/mol×K | 956.57 | Joback Calculated Property |
| Cp,gas | 1156.04 | J/mol×K | 991.04 | Joback Calculated Property |
| Cp,gas | 1169.58 | J/mol×K | 1025.51 | Joback Calculated Property |
| Cp,gas | 1182.24 | J/mol×K | 1059.98 | Joback Calculated Property |
| Cp,gas | 1194.13 | J/mol×K | 1094.45 | Joback Calculated Property |
| Cp,gas | 1205.34 | J/mol×K | 1128.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, undecyl ester.
Sources
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