- InChI
- InChI=1S/C27H48F5NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36-24(34)23(22(3)5-2)33-25(35)26(28,29)27(30,31)32/h22-23H,4-21H2,1-3H3,(H,33,35)
- InChI Key
- WGPGNDUOQQLCIQ-UHFFFAOYSA-N
- Formula
- C27H48F5NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=
O)C(F)(F)C(F)(F)F)C(C)CC - Molecular Weight1
- 529.67
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1070.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1913.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.58 | kJ/mol | Joback Calculated Property |
| log10WS | -9.80 | Crippen Calculated Property | |
| logPoct/wat | 8.520 | Crippen Calculated Property | |
| McVol | 419.130 | ml/mol | McGowan Calculated Property |
| Pc | 671.51 | kPa | Joback Calculated Property |
| Inp | 2697.00 | NIST | |
| Tboil | 986.50 | K | Joback Calculated Property |
| Tc | 1230.92 | K | Joback Calculated Property |
| Tfus | 546.59 | K | Joback Calculated Property |
| Vc | 1.669 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1477.56; 1589.29] | J/mol×K | [986.50; 1230.92] | 
|
| Cp,gas | 1477.56 | J/mol×K | 986.50 | Joback Calculated Property |
| Cp,gas | 1499.66 | J/mol×K | 1027.24 | Joback Calculated Property |
| Cp,gas | 1520.15 | J/mol×K | 1067.97 | Joback Calculated Property |
| Cp,gas | 1539.18 | J/mol×K | 1108.71 | Joback Calculated Property |
| Cp,gas | 1556.93 | J/mol×K | 1149.45 | Joback Calculated Property |
| Cp,gas | 1573.58 | J/mol×K | 1190.19 | Joback Calculated Property |
| Cp,gas | 1589.29 | J/mol×K | 1230.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-pentafluoropropionyl-, octadecyl ester.
Sources
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