- InChI
- InChI=1S/C11H13F8NO3/c1-3-5(2)6(20-8(22)10(14,15)16)7(21)23-4-9(12,13)11(17,18)19/h5-6H,3-4H2,1-2H3,(H,20,22)
- InChI Key
- VFODLROYLQBXDL-UHFFFAOYSA-N
- Formula
- C11H13F8NO3
- SMILES
-
CCC(C)C(NC(=O)C(F)(F)F)C(=O)OC
C(F)(F)C(F)(F)F - Molecular Weight1
- 359.21
- 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 | 0.6081 | Relay (... Calculated Property | |
| ΔfG° | -1786.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2331.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.82 | kJ/mol | Relay (... Calculated Property |
| IE | 9.94 | eV | Relay (... Calculated Property |
| log10WS | -4.28 | Relay (... Calculated Property | |
| logPoct/wat | 2.820 | Crippen Calculated Property | |
| McVol | 199.000 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Inp | 1074.70 | NIST | |
| Tboil | 463.00 | K | Relay (... Calculated Property |
| Tc | 615.81 | K | Relay (... Calculated Property |
| Tfus | 335.70 | K | Relay (... Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.98; 628.25] | J/mol×K | [615.00; 775.00] | 
|
| Cp,gas | 566.98 | J/mol×K | 615.00 | Joback Calculated Property |
| Cp,gas | 578.91 | J/mol×K | 641.67 | Joback Calculated Property |
| Cp,gas | 590.11 | J/mol×K | 668.33 | Joback Calculated Property |
| Cp,gas | 600.60 | J/mol×K | 695.00 | Joback Calculated Property |
| Cp,gas | 610.43 | J/mol×K | 721.67 | Joback Calculated Property |
| Cp,gas | 619.64 | J/mol×K | 748.33 | Joback Calculated Property |
| Cp,gas | 628.25 | J/mol×K | 775.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Isoleucine, N-trifluoroacetyl-, 2,2,3,3,3-pentafluoropropyl ester.
Sources
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