- InChI
- InChI=1S/C18H22F5NO3/c1-12(2)7-6-10-27-15(25)14(11-13-8-4-3-5-9-13)24-16(26)17(19,20)18(21,22)23/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,24,26)
- InChI Key
- JQUMOOLSHNOQGO-UHFFFAOYSA-N
- Formula
- C18H22F5NO3
- SMILES
-
CC(C)CCCOC(=O)C(Cc1ccccc1)NC(=
O)C(F)(F)C(F)(F)F - Molecular Weight1
- 395.36
- 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 | 0.7578 | Relay (1.0) Calculated Property | |
| ΔfG° | -1033.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1668.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.891 | Crippen Calculated Property | |
| McVol | 268.560 | ml/mol | McGowan Calculated Property |
| Pc | 1409.07 | kPa | Joback Calculated Property |
| Inp | 1839.00 | NIST | |
| Tboil | 589.37 | K | Relay (1.0) Calculated Property |
| Tc | 758.53 | K | Relay (1.0) Calculated Property |
| Tfus | 329.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.953 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.97; 902.35] | J/mol×K | [807.26; 1000.41] | 
|
| Cp,gas | 832.97 | J/mol×K | 807.26 | Joback Calculated Property |
| Cp,gas | 846.74 | J/mol×K | 839.45 | Joback Calculated Property |
| Cp,gas | 859.54 | J/mol×K | 871.64 | Joback Calculated Property |
| Cp,gas | 871.44 | J/mol×K | 903.84 | Joback Calculated Property |
| Cp,gas | 882.49 | J/mol×K | 936.03 | Joback Calculated Property |
| Cp,gas | 892.78 | J/mol×K | 968.22 | Joback Calculated Property |
| Cp,gas | 902.35 | J/mol×K | 1000.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, isohexyl ester.
Sources
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