- InChI
- InChI=1S/C17H28F5NO3/c1-4-6-7-8-9-10-11-26-14(24)13(12(3)5-2)23-15(25)16(18,19)17(20,21)22/h12-13H,4-11H2,1-3H3,(H,23,25)
- InChI Key
- BEJLBMIUOWYOGI-UHFFFAOYSA-N
- Formula
- C17H28F5NO3
- SMILES
-
CCCCCCCCOC(=O)C(NC(=O)C(F)(F)C
(F)(F)F)C(C)CC - Molecular Weight1
- 389.40
- 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 | 0.8212 | Relay (1.0) Calculated Property | |
| ΔfG° | -1154.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1875.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.619 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Pc | 1189.88 | kPa | Joback Calculated Property |
| Inp | 1737.00 | NIST | |
| Tboil | 541.76 | K | Relay (1.0) Calculated Property |
| Tc | 691.52 | K | Relay (1.0) Calculated Property |
| Tfus | 314.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.007 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [865.20; 945.23] | J/mol×K | [757.70; 932.46] | 
|
| Cp,gas | 865.20 | J/mol×K | 757.70 | Joback Calculated Property |
| Cp,gas | 880.62 | J/mol×K | 786.83 | Joback Calculated Property |
| Cp,gas | 895.15 | J/mol×K | 815.95 | Joback Calculated Property |
| Cp,gas | 908.83 | J/mol×K | 845.08 | Joback Calculated Property |
| Cp,gas | 921.71 | J/mol×K | 874.21 | Joback Calculated Property |
| Cp,gas | 933.83 | J/mol×K | 903.33 | Joback Calculated Property |
| Cp,gas | 945.23 | J/mol×K | 932.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-pentafluoropropionyl-, octyl ester.
Sources
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