- InChI
- InChI=1S/C20H32F7NO3/c1-4-6-7-8-9-10-11-12-13-31-16(29)15(14(3)5-2)28-17(30)18(21,22)19(23,24)20(25,26)27/h14-15H,4-13H2,1-3H3,(H,28,30)
- InChI Key
- NLXPXTFAQNQCDG-UHFFFAOYSA-N
- Formula
- C20H32F7NO3
- SMILES
-
CCCCCCCCCCOC(=O)C(NC(=O)C(F)(F
)C(F)(F)C(F)(F)F)C(C)CC - Molecular Weight1
- 467.46
- 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 | 0.9331 | Relay (... Calculated Property | |
| ΔfG° | -1515.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2323.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.73 | kJ/mol | Relay (... Calculated Property |
| IE | 9.49 | eV | Relay (... Calculated Property |
| log10WS | -6.89 | Relay (... Calculated Property | |
| logPoct/wat | 6.034 | Crippen Calculated Property | |
| McVol | 324.040 | ml/mol | McGowan Calculated Property |
| Pc | 942.10 | kPa | Joback Calculated Property |
| Inp | 1945.00 | NIST | |
| Tboil | 572.68 | K | Relay (... Calculated Property |
| Tc | 710.81 | K | Relay (... Calculated Property |
| Tfus | 308.68 | K | Relay (... Calculated Property |
| Vc | 1.184 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1057.39; 1141.83] | J/mol×K | [821.65; 1005.93] | 
|
| Cp,gas | 1057.39 | J/mol×K | 821.65 | Joback Calculated Property |
| Cp,gas | 1073.73 | J/mol×K | 852.36 | Joback Calculated Property |
| Cp,gas | 1089.06 | J/mol×K | 883.08 | Joback Calculated Property |
| Cp,gas | 1103.47 | J/mol×K | 913.79 | Joback Calculated Property |
| Cp,gas | 1117.01 | J/mol×K | 944.51 | Joback Calculated Property |
| Cp,gas | 1129.78 | J/mol×K | 975.22 | Joback Calculated Property |
| Cp,gas | 1141.83 | J/mol×K | 1005.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-heptafluorobutyryl-, decyl ester.
Sources
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