- InChI
- InChI=1S/C23H40F5NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-32-20(30)19(18(3)5-2)29-21(31)22(24,25)23(26,27)28/h18-19H,4-17H2,1-3H3,(H,29,31)
- InChI Key
- QHRXNNZYUZYBOO-UHFFFAOYSA-N
- Formula
- C23H40F5NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(NC(=O)C(
F)(F)C(F)(F)F)C(C)CC - Molecular Weight1
- 473.56
- 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° | -1103.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1830.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.68 | kJ/mol | Joback Calculated Property |
| log10WS | -8.12 | Crippen Calculated Property | |
| logPoct/wat | 6.959 | Crippen Calculated Property | |
| McVol | 362.770 | ml/mol | McGowan Calculated Property |
| Pc | 828.11 | kPa | Joback Calculated Property |
| Inp | 2310.00 | NIST | |
| Tboil | 894.98 | K | Joback Calculated Property |
| Tc | 1098.86 | K | Joback Calculated Property |
| Tfus | 501.51 | K | Joback Calculated Property |
| Vc | 1.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1224.86; 1320.36] | J/mol×K | [894.98; 1098.86] | 
|
| Cp,gas | 1224.86 | J/mol×K | 894.98 | Joback Calculated Property |
| Cp,gas | 1243.52 | J/mol×K | 928.96 | Joback Calculated Property |
| Cp,gas | 1260.97 | J/mol×K | 962.94 | Joback Calculated Property |
| Cp,gas | 1277.29 | J/mol×K | 996.92 | Joback Calculated Property |
| Cp,gas | 1292.57 | J/mol×K | 1030.90 | Joback Calculated Property |
| Cp,gas | 1306.90 | J/mol×K | 1064.88 | Joback Calculated Property |
| Cp,gas | 1320.36 | J/mol×K | 1098.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-pentafluoropropionyl-, tetradecyl ester.
Sources
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