- InChI
- InChI=1S/C13H18F7NO3/c1-4-6-24-9(22)8(7(3)5-2)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23)
- InChI Key
- DUFVIJNGFUKOEC-UHFFFAOYSA-N
- Formula
- C13H18F7NO3
- SMILES
-
CCCOC(=O)C(NC(=O)C(F)(F)C(F)(F
)C(F)(F)F)C(C)CC - Molecular Weight1
- 369.28
- 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 | 0.6688 | Relay (... Calculated Property | |
| ΔfG° | -1574.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2191.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.61 | kJ/mol | Relay (... Calculated Property |
| IE | 9.59 | eV | Relay (... Calculated Property |
| log10WS | -4.73 | Relay (... Calculated Property | |
| logPoct/wat | 3.303 | Crippen Calculated Property | |
| McVol | 225.410 | ml/mol | McGowan Calculated Property |
| Pc | 1495.35 | kPa | Joback Calculated Property |
| Inp | 1332.00 | NIST | |
| Tboil | 492.99 | K | Relay (... Calculated Property |
| Tc | 632.26 | K | Relay (... Calculated Property |
| Tfus | 289.91 | K | Relay (... Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.12; 730.09] | J/mol×K | [661.49; 827.12] | 
|
| Cp,gas | 662.12 | J/mol×K | 661.49 | Joback Calculated Property |
| Cp,gas | 675.32 | J/mol×K | 689.10 | Joback Calculated Property |
| Cp,gas | 687.71 | J/mol×K | 716.70 | Joback Calculated Property |
| Cp,gas | 699.34 | J/mol×K | 744.31 | Joback Calculated Property |
| Cp,gas | 710.26 | J/mol×K | 771.91 | Joback Calculated Property |
| Cp,gas | 720.49 | J/mol×K | 799.52 | Joback Calculated Property |
| Cp,gas | 730.09 | J/mol×K | 827.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-heptafluorobutyryl-, propyl ester.
Sources
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