- InChI
- InChI=1S/C14H18F3NO/c1-3-5-10-18(4-2)13(19)11-8-6-7-9-12(11)14(15,16)17/h6-9H,3-5,10H2,1-2H3
- InChI Key
- CMLALNHFTWYVTC-UHFFFAOYSA-N
- Formula
- C14H18F3NO
- SMILES
- CCCCN(CC)C(=O)c1ccccc1C(F)(F)F
- Molecular Weight1
- 273.29
- 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 | 0.6344 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -830.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.968 | Crippen Calculated Property | |
| McVol | 201.220 | ml/mol | McGowan Calculated Property |
| Pc | 1888.72 | kPa | Joback Calculated Property |
| Inp | [1816.00; 1816.00] |
|
|
| Inp | 1816.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Tboil | 557.26 | K | Relay (1.0) Calculated Property |
| Tc | 742.71 | K | Relay (1.0) Calculated Property |
| Tfus | 275.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.85; 611.34] | J/mol×K | [612.27; 797.91] |
|
| Cp,gas | 531.85 | J/mol×K | 612.27 | Joback Calculated Property |
| Cp,gas | 547.28 | J/mol×K | 643.21 | Joback Calculated Property |
| Cp,gas | 561.77 | J/mol×K | 674.15 | Joback Calculated Property |
| Cp,gas | 575.38 | J/mol×K | 705.09 | Joback Calculated Property |
| Cp,gas | 588.14 | J/mol×K | 736.03 | Joback Calculated Property |
| Cp,gas | 600.11 | J/mol×K | 766.97 | Joback Calculated Property |
| Cp,gas | 611.34 | J/mol×K | 797.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-trifluoromethyl-N-ethyl-N-butyl-.
Sources
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