- InChI
- InChI=1S/C27H40F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-36-24(34)23(21-22-18-15-14-16-19-22)33-25(35)26(28,29)27(30,31)32/h14-16,18-19,23H,2-13,17,20-21H2,1H3,(H,33,35)
- InChI Key
- SKIHBNORUZAWOW-UHFFFAOYSA-N
- Formula
- C27H40F5NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(Cc1cccc
c1)NC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 521.60
- 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 | 1.1416 | Relay (1.0) Calculated Property | |
| ΔfG° | -955.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1824.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.546 | Crippen Calculated Property | |
| McVol | 395.370 | ml/mol | McGowan Calculated Property |
| Pc | 799.79 | kPa | Joback Calculated Property |
| Inp | 2780.00 | NIST | |
| Tboil | 667.06 | K | Relay (1.0) Calculated Property |
| Tc | 840.20 | K | Relay (1.0) Calculated Property |
| Tfus | 338.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.444 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1372.56; 1465.22] | J/mol×K | [1013.62; 1250.27] | 
|
| Cp,gas | 1372.56 | J/mol×K | 1013.62 | Joback Calculated Property |
| Cp,gas | 1390.57 | J/mol×K | 1053.06 | Joback Calculated Property |
| Cp,gas | 1407.34 | J/mol×K | 1092.50 | Joback Calculated Property |
| Cp,gas | 1423.03 | J/mol×K | 1131.94 | Joback Calculated Property |
| Cp,gas | 1437.79 | J/mol×K | 1171.39 | Joback Calculated Property |
| Cp,gas | 1451.80 | J/mol×K | 1210.83 | Joback Calculated Property |
| Cp,gas | 1465.22 | J/mol×K | 1250.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, pentadecyl ester.
Sources
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