- InChI
- InChI=1S/C15H24F5NO3/c1-4-6-7-8-9-24-12(22)11(10(3)5-2)21-13(23)14(16,17)15(18,19)20/h10-11H,4-9H2,1-3H3,(H,21,23)
- InChI Key
- PHWUWMNSIIRYMW-UHFFFAOYSA-N
- Formula
- C15H24F5NO3
- SMILES
-
CCCCCCOC(=O)C(NC(=O)C(F)(F)C(F
)(F)F)C(C)CC - Molecular Weight1
- 361.35
- 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 | 0.7457 | Relay (... Calculated Property | |
| ΔfG° | -1171.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1836.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.04 | kJ/mol | Relay (... Calculated Property |
| IE | 9.50 | eV | Relay (... Calculated Property |
| log10WS | -4.96 | Relay (... Calculated Property | |
| logPoct/wat | 3.838 | Crippen Calculated Property | |
| McVol | 250.050 | ml/mol | McGowan Calculated Property |
| Pc | 1364.66 | kPa | Joback Calculated Property |
| Inp | 1553.00 | NIST | |
| Tboil | 518.43 | K | Relay (... Calculated Property |
| Tc | 668.98 | K | Relay (... Calculated Property |
| Tfus | 306.83 | K | Relay (... Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [752.17; 827.96] | J/mol×K | [711.94; 883.04] | 
|
| Cp,gas | 752.17 | J/mol×K | 711.94 | Joback Calculated Property |
| Cp,gas | 766.75 | J/mol×K | 740.46 | Joback Calculated Property |
| Cp,gas | 780.50 | J/mol×K | 768.97 | Joback Calculated Property |
| Cp,gas | 793.46 | J/mol×K | 797.49 | Joback Calculated Property |
| Cp,gas | 805.66 | J/mol×K | 826.01 | Joback Calculated Property |
| Cp,gas | 817.15 | J/mol×K | 854.52 | Joback Calculated Property |
| Cp,gas | 827.96 | J/mol×K | 883.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-pentafluoropropionyl-, hexyl ester.
Sources
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