- InChI
- InChI=1S/C11H10F3NO3/c1-18-9(16)6-15-10(17)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
- InChI Key
- BSCPQOKDXQXMTN-UHFFFAOYSA-N
- Formula
- C11H10F3NO3
- SMILES
-
COC(=O)CNC(=O)c1cccc(C(F)(F)F)
c1 - Molecular Weight1
- 261.20
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -710.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -946.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.62 | Crippen Calculated Property | |
| logPoct/wat | 1.608 | Crippen Calculated Property | |
| McVol | 166.390 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | 1629.00 | NIST | |
| Tboil | 657.65 | K | Joback Calculated Property |
| Tc | 858.75 | K | Joback Calculated Property |
| Tfus | 431.61 | K | Joback Calculated Property |
| Vc | 0.651 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.83; 495.58] | J/mol×K | [657.65; 858.75] | 
|
| Cp,gas | 438.83 | J/mol×K | 657.65 | Joback Calculated Property |
| Cp,gas | 450.18 | J/mol×K | 691.17 | Joback Calculated Property |
| Cp,gas | 460.73 | J/mol×K | 724.68 | Joback Calculated Property |
| Cp,gas | 470.51 | J/mol×K | 758.20 | Joback Calculated Property |
| Cp,gas | 479.56 | J/mol×K | 791.72 | Joback Calculated Property |
| Cp,gas | 487.90 | J/mol×K | 825.24 | Joback Calculated Property |
| Cp,gas | 495.58 | J/mol×K | 858.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, N-(3-trifluoromethylbenzoyl)-, methyl ester.
Sources
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