- InChI
- InChI=1S/C19H25F4NO3/c1-3-4-5-6-7-8-12-27-18(26)13(2)24-17(25)14-10-9-11-15(16(14)20)19(21,22)23/h9-11,13H,3-8,12H2,1-2H3,(H,24,25)
- InChI Key
- XUAQAJLHQBJQOC-UHFFFAOYSA-N
- Formula
- C19H25F4NO3
- SMILES
-
CCCCCCCCOC(=O)C(C)NC(=O)c1cccc
(C(F)(F)F)c1F - Molecular Weight1
- 391.40
- 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 | 0.9142 | Relay (1.0) Calculated Property | |
| ΔfG° | -850.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1461.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.867 | Crippen Calculated Property | |
| McVol | 280.880 | ml/mol | McGowan Calculated Property |
| Pc | 1301.41 | kPa | Joback Calculated Property |
| Inp | 2261.00 | NIST | |
| Tboil | 618.85 | K | Relay (1.0) Calculated Property |
| Tc | 826.37 | K | Relay (1.0) Calculated Property |
| Tfus | 348.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.029 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.24; 950.55] | J/mol×K | [844.50; 1039.23] | 
|
| Cp,gas | 879.24 | J/mol×K | 844.50 | Joback Calculated Property |
| Cp,gas | 893.41 | J/mol×K | 876.96 | Joback Calculated Property |
| Cp,gas | 906.61 | J/mol×K | 909.41 | Joback Calculated Property |
| Cp,gas | 918.88 | J/mol×K | 941.87 | Joback Calculated Property |
| Cp,gas | 930.26 | J/mol×K | 974.32 | Joback Calculated Property |
| Cp,gas | 940.80 | J/mol×K | 1006.78 | Joback Calculated Property |
| Cp,gas | 950.55 | J/mol×K | 1039.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester.
Sources
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