- InChI
- InChI=1S/C15H15F6NO3/c1-3-6-25-13(24)8(2)22-12(23)10-7-9(14(16,17)18)4-5-11(10)15(19,20)21/h4-5,7-8H,3,6H2,1-2H3,(H,22,23)
- InChI Key
- MMUIISYGDAKMDQ-UHFFFAOYSA-N
- Formula
- C15H15F6NO3
- SMILES
-
CCCOC(=O)C(C)NC(=O)c1cc(C(F)(F
)F)ccc1C(F)(F)F - Molecular Weight1
- 371.27
- 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 | 0.7562 | Relay (1.0) Calculated Property | |
| ΔfG° | -1270.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1820.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.796 | Crippen Calculated Property | |
| McVol | 228.060 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | 1693.00 | NIST | |
| Tboil | 565.17 | K | Relay (1.0) Calculated Property |
| Tc | 793.13 | K | Relay (1.0) Calculated Property |
| Tfus | 381.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.847 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [671.98; 732.62] | J/mol×K | [748.29; 935.56] | 
|
| Cp,gas | 671.98 | J/mol×K | 748.29 | Joback Calculated Property |
| Cp,gas | 684.04 | J/mol×K | 779.50 | Joback Calculated Property |
| Cp,gas | 695.25 | J/mol×K | 810.71 | Joback Calculated Property |
| Cp,gas | 705.67 | J/mol×K | 841.93 | Joback Calculated Property |
| Cp,gas | 715.34 | J/mol×K | 873.14 | Joback Calculated Property |
| Cp,gas | 724.31 | J/mol×K | 904.35 | Joback Calculated Property |
| Cp,gas | 732.62 | J/mol×K | 935.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester.
Sources
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