- InChI
- InChI=1S/C12H12F3NO3/c1-7(11(18)19-2)16-10(17)8-5-3-4-6-9(8)12(13,14)15/h3-7H,1-2H3,(H,16,17)
- InChI Key
- HOYZGOAJCOOKFM-UHFFFAOYSA-N
- Formula
- C12H12F3NO3
- SMILES
-
COC(=O)C(C)NC(=O)c1ccccc1C(F)(
F)F - Molecular Weight1
- 275.22
- 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 | 0.6058 | Relay (1.0) Calculated Property | |
| ΔfG° | -704.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.997 | Crippen Calculated Property | |
| McVol | 180.480 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | 1597.00 | NIST | |
| Tboil | 544.91 | K | Relay (1.0) Calculated Property |
| Tc | 768.70 | K | Relay (1.0) Calculated Property |
| Tfus | 358.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.51; 550.01] | J/mol×K | [680.09; 882.17] | 
|
| Cp,gas | 489.51 | J/mol×K | 680.09 | Joback Calculated Property |
| Cp,gas | 501.62 | J/mol×K | 713.77 | Joback Calculated Property |
| Cp,gas | 512.87 | J/mol×K | 747.45 | Joback Calculated Property |
| Cp,gas | 523.30 | J/mol×K | 781.13 | Joback Calculated Property |
| Cp,gas | 532.95 | J/mol×K | 814.81 | Joback Calculated Property |
| Cp,gas | 541.84 | J/mol×K | 848.49 | Joback Calculated Property |
| Cp,gas | 550.01 | J/mol×K | 882.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Alanine, N-(2-trifluoromethylbenzoyl)-, methyl ester.
Sources
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