- InChI
- InChI=1S/C28H48F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39-24(37)23(21-22(2)3)36-25(38)26(29,30)27(31,32)28(33,34)35/h22-23H,4-21H2,1-3H3,(H,36,38)
- InChI Key
- CLFVCIUIGNNHON-UHFFFAOYSA-N
- Formula
- C28H48F7NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC(C
)C)NC(=O)C(F)(F)C(F)(F)C(F)(F) F - Molecular Weight1
- 579.67
- 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 | 1.2348 | Relay (... Calculated Property | |
| ΔfG° | -1448.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2485.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 70.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.53 | kJ/mol | Relay (... Calculated Property |
| IE | 9.83 | eV | Relay (... Calculated Property |
| log10WS | -9.10 | Relay (... Calculated Property | |
| logPoct/wat | 9.155 | Crippen Calculated Property | |
| McVol | 436.760 | ml/mol | McGowan Calculated Property |
| Pc | 616.95 | kPa | Joback Calculated Property |
| Inp | 2684.00 | NIST | |
| Tboil | 648.25 | K | Relay (... Calculated Property |
| Tc | 778.33 | K | Relay (... Calculated Property |
| Tfus | 335.02 | K | Relay (... Calculated Property |
| Vc | 1.618 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1554.90; 1676.16] | J/mol×K | [1004.69; 1266.27] | 
|
| Cp,gas | 1554.90 | J/mol×K | 1004.69 | Joback Calculated Property |
| Cp,gas | 1578.26 | J/mol×K | 1048.29 | Joback Calculated Property |
| Cp,gas | 1600.02 | J/mol×K | 1091.88 | Joback Calculated Property |
| Cp,gas | 1620.44 | J/mol×K | 1135.48 | Joback Calculated Property |
| Cp,gas | 1639.76 | J/mol×K | 1179.07 | Joback Calculated Property |
| Cp,gas | 1658.25 | J/mol×K | 1222.67 | Joback Calculated Property |
| Cp,gas | 1676.16 | J/mol×K | 1266.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Leucine, n-heptafluorobutyryl-, octadecyl ester.
Sources
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