- InChI
- InChI=1S/C7H4F3NO/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H2,11,12)
- InChI Key
- BWWGEHSEZGXEKB-UHFFFAOYSA-N
- Formula
- C7H4F3NO
- SMILES
- NC(=O)c1c(F)ccc(F)c1F
- Molecular Weight1
- 175.11
- CAS
- 207986-22-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5733 | Relay (1.0) Calculated Property | |
| ΔfusH° | 22.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.203 | Crippen Calculated Property | |
| McVol | 102.590 | ml/mol | McGowan Calculated Property |
| Pc | 3815.10 | kPa | Joback Calculated Property |
| Tboil | 494.09 | K | Relay (1.0) Calculated Property |
| Tc | 722.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.20; 265.86] | J/mol×K | [525.39; 731.08] | 
|
| Cp,gas | 224.20 | J/mol×K | 525.39 | Joback Calculated Property |
| Cp,gas | 232.23 | J/mol×K | 559.67 | Joback Calculated Property |
| Cp,gas | 239.81 | J/mol×K | 593.95 | Joback Calculated Property |
| Cp,gas | 246.96 | J/mol×K | 628.23 | Joback Calculated Property |
| Cp,gas | 253.67 | J/mol×K | 662.52 | Joback Calculated Property |
| Cp,gas | 259.97 | J/mol×K | 696.80 | Joback Calculated Property |
| Cp,gas | 265.86 | J/mol×K | 731.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trifluorobenzamide.
Sources
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