- InChI
- InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
- InChI Key
- RRANUIMYSXUNCN-UHFFFAOYSA-N
- Formula
- C8H6F3NO2
- SMILES
- NC(=O)c1cccc(OC(F)(F)F)c1
- Molecular Weight1
- 205.13
- CAS
- 658-91-3
- 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).
- 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 | 0.6162 | Relay (1.0) Calculated Property | |
| ΔfG° | -629.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.684 | Crippen Calculated Property | |
| McVol | 122.550 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Tboil | 502.42 | K | Relay (1.0) Calculated Property |
| Tc | 683.02 | K | Relay (1.0) Calculated Property |
| Tfus | 287.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.64; 344.43] | J/mol×K | [557.50; 768.33] | 
|
| Cp,gas | 293.64 | J/mol×K | 557.50 | Joback Calculated Property |
| Cp,gas | 303.82 | J/mol×K | 592.64 | Joback Calculated Property |
| Cp,gas | 313.28 | J/mol×K | 627.78 | Joback Calculated Property |
| Cp,gas | 322.04 | J/mol×K | 662.91 | Joback Calculated Property |
| Cp,gas | 330.13 | J/mol×K | 698.05 | Joback Calculated Property |
| Cp,gas | 337.58 | J/mol×K | 733.19 | Joback Calculated Property |
| Cp,gas | 344.43 | J/mol×K | 768.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Trifluoromethoxy)benzamide.
Sources
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