- InChI
- InChI=1S/C10H9F4NO/c1-2-15-9(16)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,2H2,1H3,(H,15,16)
- InChI Key
- FJNKHCIDBFWKMA-UHFFFAOYSA-N
- Formula
- C10H9F4NO
- SMILES
- CCNC(=O)c1cc(F)cc(C(F)(F)F)c1
- Molecular Weight1
- 235.18
- 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 | 0.5522 | Relay (1.0) Calculated Property | |
| ΔfG° | -689.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -980.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.594 | Crippen Calculated Property | |
| McVol | 146.630 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Inp | 1373.00 | NIST | |
| Tboil | 504.65 | K | Relay (1.0) Calculated Property |
| Tc | 722.26 | K | Relay (1.0) Calculated Property |
| Tfus | 329.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.53; 418.63] | J/mol×K | [562.73; 752.89] | 
|
| Cp,gas | 359.53 | J/mol×K | 562.73 | Joback Calculated Property |
| Cp,gas | 371.10 | J/mol×K | 594.42 | Joback Calculated Property |
| Cp,gas | 381.94 | J/mol×K | 626.12 | Joback Calculated Property |
| Cp,gas | 392.07 | J/mol×K | 657.81 | Joback Calculated Property |
| Cp,gas | 401.54 | J/mol×K | 689.50 | Joback Calculated Property |
| Cp,gas | 410.38 | J/mol×K | 721.20 | Joback Calculated Property |
| Cp,gas | 418.63 | J/mol×K | 752.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-fluoro-5-trifluoromethyl-N-ethyl-.
Sources
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