- InChI
- InChI=1S/C15H17F4NO3/c1-3-4-7-23-14(22)9(2)20-13(21)11-8-10(16)5-6-12(11)15(17,18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,20,21)
- InChI Key
- RTLBSEKRVXZCHS-UHFFFAOYSA-N
- Formula
- C15H17F4NO3
- SMILES
-
CCCCOC(=O)C(C)NC(=O)c1cc(F)ccc
1C(F)(F)F - Molecular Weight1
- 335.29
- 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 | 0.7515 | Relay (1.0) Calculated Property | |
| ΔfG° | -883.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1397.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.306 | Crippen Calculated Property | |
| McVol | 224.520 | ml/mol | McGowan Calculated Property |
| Pc | 1753.60 | kPa | Joback Calculated Property |
| Inp | 1868.00 | NIST | |
| Tboil | 575.89 | K | Relay (1.0) Calculated Property |
| Tc | 785.07 | K | Relay (1.0) Calculated Property |
| Tfus | 341.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.815 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.17; 718.60] | J/mol×K | [752.98; 944.62] | 
|
| Cp,gas | 654.17 | J/mol×K | 752.98 | Joback Calculated Property |
| Cp,gas | 666.93 | J/mol×K | 784.92 | Joback Calculated Property |
| Cp,gas | 678.84 | J/mol×K | 816.86 | Joback Calculated Property |
| Cp,gas | 689.93 | J/mol×K | 848.80 | Joback Calculated Property |
| Cp,gas | 700.23 | J/mol×K | 880.74 | Joback Calculated Property |
| Cp,gas | 709.78 | J/mol×K | 912.68 | Joback Calculated Property |
| Cp,gas | 718.60 | J/mol×K | 944.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, butyl ester.
Sources
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