- InChI
- InChI=1S/C26H38F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-35-23(33)22(20-21-17-14-13-15-18-21)32-24(34)25(27,28)26(29,30)31/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,32,34)
- InChI Key
- OGTHSGNFIQCTDZ-UHFFFAOYSA-N
- Formula
- C26H38F5NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(Cc1ccccc
1)NC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 507.58
- 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 | 1.1051 | Relay (1.0) Calculated Property | |
| ΔfG° | -963.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1804.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.156 | Crippen Calculated Property | |
| McVol | 381.280 | ml/mol | McGowan Calculated Property |
| Pc | 845.05 | kPa | Joback Calculated Property |
| Inp | 2669.00 | NIST | |
| Tboil | 659.55 | K | Relay (1.0) Calculated Property |
| Tc | 831.80 | K | Relay (1.0) Calculated Property |
| Tfus | 336.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.391 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1310.08; 1398.73] | J/mol×K | [990.74; 1218.15] | 
|
| Cp,gas | 1310.08 | J/mol×K | 990.74 | Joback Calculated Property |
| Cp,gas | 1327.37 | J/mol×K | 1028.64 | Joback Calculated Property |
| Cp,gas | 1343.47 | J/mol×K | 1066.54 | Joback Calculated Property |
| Cp,gas | 1358.51 | J/mol×K | 1104.45 | Joback Calculated Property |
| Cp,gas | 1372.64 | J/mol×K | 1142.35 | Joback Calculated Property |
| Cp,gas | 1386.00 | J/mol×K | 1180.25 | Joback Calculated Property |
| Cp,gas | 1398.73 | J/mol×K | 1218.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, tetradecyl ester.
Sources
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