- InChI
- InChI=1S/C8H6F3NO/c1-12-8(13)4-2-3-5(9)7(11)6(4)10/h2-3H,1H3,(H,12,13)
- InChI Key
- YKIMXPNCTGWWHV-UHFFFAOYSA-N
- Formula
- C8H6F3NO
- SMILES
- CNC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 189.13
- 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 | 0.5286 | Relay (1.0) Calculated Property | |
| ΔfG° | -523.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.464 | Crippen Calculated Property | |
| McVol | 116.680 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Inp | [1277.00; 1277.00] |
|
|
| Inp | 1277.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Tboil | 491.53 | K | Relay (1.0) Calculated Property |
| Tc | 710.82 | K | Relay (1.0) Calculated Property |
| Tfus | 362.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.38; 307.47] | J/mol×K | [525.91; 720.06] |
|
| Cp,gas | 258.38 | J/mol×K | 525.91 | Joback Calculated Property |
| Cp,gas | 267.74 | J/mol×K | 558.27 | Joback Calculated Property |
| Cp,gas | 276.61 | J/mol×K | 590.63 | Joback Calculated Property |
| Cp,gas | 285.01 | J/mol×K | 622.98 | Joback Calculated Property |
| Cp,gas | 292.95 | J/mol×K | 655.34 | Joback Calculated Property |
| Cp,gas | 300.43 | J/mol×K | 687.70 | Joback Calculated Property |
| Cp,gas | 307.47 | J/mol×K | 720.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-methyl-.
Sources
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