- InChI
- InChI=1S/C11H16F5NO3/c1-4-6(3)7(8(18)20-5-2)17-9(19)10(12,13)11(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,19)
- InChI Key
- LDXFANWPWFYUNP-UHFFFAOYSA-N
- Formula
- C11H16F5NO3
- SMILES
-
CCOC(=O)C(NC(=O)C(F)(F)C(F)(F)
F)C(C)CC - Molecular Weight1
- 305.24
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5804 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1759.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.61 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.278 | Crippen Calculated Property | |
| McVol | 193.690 | ml/mol | McGowan Calculated Property |
| Pc | 1789.39 | kPa | Joback Calculated Property |
| Inp | 1209.00 | NIST | |
| Tboil | 469.23 | K | Relay (1.0) Calculated Property |
| Tc | 622.15 | K | Relay (1.0) Calculated Property |
| Tfus | 303.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.72; 660.21] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.59200e+00 | |||
| Coefficient B | 1.36466e+00 | |||
| Coefficient C | -9.41900e-04 | |||
| Coefficient D | 2.34860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 309.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 377.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 437.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 487.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 531.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 567.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 597.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 623.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 643.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 660.21 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to L-isoleucine, n-pentafluoropropionyl-, ethyl ester.
Sources
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