- InChI
- InChI=1S/C28H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-37-25(35)24(22-23-19-16-15-17-20-23)34-26(36)27(29,30)28(31,32)33/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,34,36)
- InChI Key
- GHALAEIBDPQHRB-UHFFFAOYSA-N
- Formula
- C28H42F5NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(Cc1ccc
cc1)NC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 535.63
- 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 | 1.1777 | Relay (1.0) Calculated Property | |
| ΔfG° | -946.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1842.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.936 | Crippen Calculated Property | |
| McVol | 409.460 | ml/mol | McGowan Calculated Property |
| Pc | 758.07 | kPa | Joback Calculated Property |
| Inp | 2908.00 | NIST | |
| Tboil | 674.34 | K | Relay (1.0) Calculated Property |
| Tc | 848.43 | K | Relay (1.0) Calculated Property |
| Tfus | 340.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.497 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1435.53; 1532.83] | J/mol×K | [1036.50; 1283.72] | 
|
| Cp,gas | 1435.53 | J/mol×K | 1036.50 | Joback Calculated Property |
| Cp,gas | 1454.37 | J/mol×K | 1077.70 | Joback Calculated Property |
| Cp,gas | 1471.90 | J/mol×K | 1118.91 | Joback Calculated Property |
| Cp,gas | 1488.32 | J/mol×K | 1160.11 | Joback Calculated Property |
| Cp,gas | 1503.82 | J/mol×K | 1201.32 | Joback Calculated Property |
| Cp,gas | 1518.59 | J/mol×K | 1242.52 | Joback Calculated Property |
| Cp,gas | 1532.83 | J/mol×K | 1283.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, hexadecyl ester.
Sources
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