- InChI
- InChI=1S/C12H14F3NO/c1-2-3-7-16-11(17)9-5-4-6-10(8-9)12(13,14)15/h4-6,8H,2-3,7H2,1H3,(H,16,17)
- InChI Key
- CQSSXBUAUOOYFP-UHFFFAOYSA-N
- Formula
- C12H14F3NO
- SMILES
- CCCCNC(=O)c1cccc(C(F)(F)F)c1
- Molecular Weight1
- 245.24
- 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 | 0.6180 | Relay (1.0) Calculated Property | |
| ΔfG° | -468.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -829.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.235 | Crippen Calculated Property | |
| McVol | 173.040 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Inp | [1620.00; 1620.00] |
|
|
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Tboil | 540.53 | K | Relay (1.0) Calculated Property |
| Tc | 753.79 | K | Relay (1.0) Calculated Property |
| Tfus | 319.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.25; 517.04] | J/mol×K | [604.24; 797.30] |
|
| Cp,gas | 447.25 | J/mol×K | 604.24 | Joback Calculated Property |
| Cp,gas | 460.91 | J/mol×K | 636.42 | Joback Calculated Property |
| Cp,gas | 473.69 | J/mol×K | 668.59 | Joback Calculated Property |
| Cp,gas | 485.65 | J/mol×K | 700.77 | Joback Calculated Property |
| Cp,gas | 496.84 | J/mol×K | 732.95 | Joback Calculated Property |
| Cp,gas | 507.28 | J/mol×K | 765.13 | Joback Calculated Property |
| Cp,gas | 517.04 | J/mol×K | 797.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-(trifluoromethyl)-N-butyl-.
Sources
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