- InChI
- InChI=1S/C12H18F5NO3/c1-4-6-21-9(19)8(7(3)5-2)18-10(20)11(13,14)12(15,16)17/h7-8H,4-6H2,1-3H3,(H,18,20)
- InChI Key
- OTRXXZBZQQSDKQ-UHFFFAOYSA-N
- Formula
- C12H18F5NO3
- SMILES
-
CCCOC(=O)C(NC(=O)C(F)(F)C(F)(F
)F)C(C)CC - Molecular Weight1
- 319.27
- 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 | 0.6289 | Relay (1.0) Calculated Property | |
| ΔfG° | -1196.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1779.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.668 | Crippen Calculated Property | |
| McVol | 207.780 | ml/mol | McGowan Calculated Property |
| Pc | 1708.95 | kPa | Joback Calculated Property |
| Inp | 1303.00 | NIST | |
| Tboil | 483.29 | K | Relay (1.0) Calculated Property |
| Tc | 627.78 | K | Relay (1.0) Calculated Property |
| Tfus | 302.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.737 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.84; 659.86] | J/mol×K | [643.30; 812.90] | 
|
| Cp,gas | 590.84 | J/mol×K | 643.30 | Joback Calculated Property |
| Cp,gas | 604.14 | J/mol×K | 671.57 | Joback Calculated Property |
| Cp,gas | 616.68 | J/mol×K | 699.83 | Joback Calculated Property |
| Cp,gas | 628.49 | J/mol×K | 728.10 | Joback Calculated Property |
| Cp,gas | 639.60 | J/mol×K | 756.37 | Joback Calculated Property |
| Cp,gas | 650.05 | J/mol×K | 784.63 | Joback Calculated Property |
| Cp,gas | 659.86 | J/mol×K | 812.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-pentafluoropropionyl-, propyl ester.
Sources
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