- 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).
- 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 | 0.5804 | Relay (... Calculated Property | |
| ΔfG° | -1204.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1759.62 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.68 | eV | Relay (... Calculated Property |
| log10WS | -3.61 | Relay (... Calculated Property | |
| logPoct/wat | 2.278 | Crippen Calculated Property | |
| McVol | 193.690 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | 1209.00 | NIST | |
| Tboil | 469.23 | K | Relay (... Calculated Property |
| Tc | 618.51 | K | Relay (... Calculated Property |
| Tfus | 305.75 | K | Relay (... Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.55; 606.02] | J/mol×K | [620.42; 790.36] | 
|
| Cp,gas | 539.55 | J/mol×K | 620.42 | Joback Calculated Property |
| Cp,gas | 552.38 | J/mol×K | 648.74 | Joback Calculated Property |
| Cp,gas | 564.47 | J/mol×K | 677.07 | Joback Calculated Property |
| Cp,gas | 575.85 | J/mol×K | 705.39 | Joback Calculated Property |
| Cp,gas | 586.55 | J/mol×K | 733.72 | Joback Calculated Property |
| Cp,gas | 596.59 | J/mol×K | 762.04 | Joback Calculated Property |
| Cp,gas | 606.02 | J/mol×K | 790.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-pentafluoropropionyl-, ethyl ester.
Sources
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