- InChI
- InChI=1S/C10H10F3NO/c1-2-14-9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
- InChI Key
- NLNQKSZGPHXWFN-UHFFFAOYSA-N
- Formula
- C10H10F3NO
- SMILES
- CCNC(=O)c1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 217.19
- 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 | 0.5363 | Relay (1.0) Calculated Property | |
| ΔfG° | -485.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.455 | Crippen Calculated Property | |
| McVol | 144.860 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Inp | [1450.00; 1450.00] |
|
|
| Inp | 1450.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Tboil | 515.88 | K | Relay (1.0) Calculated Property |
| Tc | 722.01 | K | Relay (1.0) Calculated Property |
| Tfus | 360.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.74; 414.64] | J/mol×K | [558.48; 756.68] |
|
| Cp,gas | 351.74 | J/mol×K | 558.48 | Joback Calculated Property |
| Cp,gas | 364.17 | J/mol×K | 591.51 | Joback Calculated Property |
| Cp,gas | 375.77 | J/mol×K | 624.55 | Joback Calculated Property |
| Cp,gas | 386.57 | J/mol×K | 657.58 | Joback Calculated Property |
| Cp,gas | 396.62 | J/mol×K | 690.61 | Joback Calculated Property |
| Cp,gas | 405.96 | J/mol×K | 723.64 | Joback Calculated Property |
| Cp,gas | 414.64 | J/mol×K | 756.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-(trifluoromethyl)-N-ethyl-.
Sources
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