- InChI
- InChI=1S/C25H42F7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-36-21(34)20(19(3)5-2)33-22(35)23(26,27)24(28,29)25(30,31)32/h19-20H,4-18H2,1-3H3,(H,33,35)
- InChI Key
- NJYLJZZERKHJFY-UHFFFAOYSA-N
- Formula
- C25H42F7NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)C
(F)(F)C(F)(F)C(F)(F)F)C(C)CC - Molecular Weight1
- 537.59
- 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 | 1.1167 | Relay (... Calculated Property | |
| ΔfG° | -1473.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2421.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 62.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.68 | kJ/mol | Relay (... Calculated Property |
| IE | 9.61 | eV | Relay (... Calculated Property |
| log10WS | -8.22 | Relay (... Calculated Property | |
| logPoct/wat | 7.985 | Crippen Calculated Property | |
| McVol | 394.490 | ml/mol | McGowan Calculated Property |
| Pc | 715.68 | kPa | Joback Calculated Property |
| Inp | 2416.00 | NIST | |
| Tboil | 618.96 | K | Relay (... Calculated Property |
| Tc | 756.26 | K | Relay (... Calculated Property |
| Tfus | 327.21 | K | Relay (... Calculated Property |
| Vc | 1.450 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1363.92; 1467.09] | J/mol×K | [936.05; 1159.12] | 
|
| Cp,gas | 1363.92 | J/mol×K | 936.05 | Joback Calculated Property |
| Cp,gas | 1383.93 | J/mol×K | 973.23 | Joback Calculated Property |
| Cp,gas | 1402.61 | J/mol×K | 1010.41 | Joback Calculated Property |
| Cp,gas | 1420.12 | J/mol×K | 1047.59 | Joback Calculated Property |
| Cp,gas | 1436.61 | J/mol×K | 1084.76 | Joback Calculated Property |
| Cp,gas | 1452.21 | J/mol×K | 1121.94 | Joback Calculated Property |
| Cp,gas | 1467.09 | J/mol×K | 1159.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, n-heptafluorobutyryl-, pentadecyl ester.
Sources
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