- InChI
- InChI=1S/C8H12F3NO3/c1-5(2)15-6(13)3-4-12-7(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)
- InChI Key
- JPHKRJVNMJIUJE-UHFFFAOYSA-N
- Formula
- C8H12F3NO3
- SMILES
- CC(C)OC(=O)CCNC(=O)C(F)(F)F
- Molecular Weight1
- 227.18
- 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° | -841.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1114.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.60 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.007 | Crippen Calculated Property | |
| McVol | 147.880 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Inp | 1160.00 | NIST | |
| Tboil | 556.91 | K | Joback Calculated Property |
| Tc | 732.53 | K | Joback Calculated Property |
| Tfus | 343.86 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.04; 432.84] | J/mol×K | [556.91; 732.53] | 
|
| Cp,gas | 374.04 | J/mol×K | 556.91 | Joback Calculated Property |
| Cp,gas | 385.25 | J/mol×K | 586.18 | Joback Calculated Property |
| Cp,gas | 395.88 | J/mol×K | 615.45 | Joback Calculated Property |
| Cp,gas | 405.93 | J/mol×K | 644.72 | Joback Calculated Property |
| Cp,gas | 415.43 | J/mol×K | 673.99 | Joback Calculated Property |
| Cp,gas | 424.40 | J/mol×K | 703.26 | Joback Calculated Property |
| Cp,gas | 432.84 | J/mol×K | 732.53 | Joback Calculated Property |
Similar Compounds
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Sources
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