- InChI
- InChI=1S/C15H12F3NO/c1-10-3-2-4-13(9-10)19-14(20)11-5-7-12(8-6-11)15(16,17)18/h2-9H,1H3,(H,19,20)
- InChI Key
- FFUHAMNWQGWTNB-UHFFFAOYSA-N
- Formula
- C15H12F3NO
- SMILES
-
Cc1cccc(NC(=O)c2ccc(C(F)(F)F)c
c2)c1 - Molecular Weight1
- 279.26
- 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 | 0.6441 | Relay (1.0) Calculated Property | |
| ΔfG° | -340.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.266 | Crippen Calculated Property | |
| McVol | 191.550 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | 1969.00 | NIST | |
| Tboil | 613.58 | K | Relay (1.0) Calculated Property |
| Tc | 877.69 | K | Relay (1.0) Calculated Property |
| Tfus | 401.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.43; 583.28] | J/mol×K | [704.54; 926.89] | 
|
| Cp,gas | 517.43 | J/mol×K | 704.54 | Joback Calculated Property |
| Cp,gas | 530.86 | J/mol×K | 741.60 | Joback Calculated Property |
| Cp,gas | 543.20 | J/mol×K | 778.66 | Joback Calculated Property |
| Cp,gas | 554.54 | J/mol×K | 815.71 | Joback Calculated Property |
| Cp,gas | 564.94 | J/mol×K | 852.77 | Joback Calculated Property |
| Cp,gas | 574.50 | J/mol×K | 889.83 | Joback Calculated Property |
| Cp,gas | 583.28 | J/mol×K | 926.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-methylphenyl)-4-trifluoromethyl-.
Sources
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