- InChI
- InChI=1S/C16H22F3NO/c1-3-5-6-9-12-20(4-2)15(21)13-10-7-8-11-14(13)16(17,18)19/h7-8,10-11H,3-6,9,12H2,1-2H3
- InChI Key
- WOWYEBDBZYMSAQ-UHFFFAOYSA-N
- Formula
- C16H22F3NO
- SMILES
-
CCCCCCN(CC)C(=O)c1ccccc1C(F)(F
)F - Molecular Weight1
- 301.35
- 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 | 0.7156 | Relay (1.0) Calculated Property | |
| ΔfG° | -413.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -871.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.748 | Crippen Calculated Property | |
| McVol | 229.400 | ml/mol | McGowan Calculated Property |
| Pc | 1609.00 | kPa | Joback Calculated Property |
| Inp | [2007.00; 2007.00] |
|
|
| Inp | 2007.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Tboil | 581.55 | K | Relay (1.0) Calculated Property |
| Tc | 768.39 | K | Relay (1.0) Calculated Property |
| Tfus | 277.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.848 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.22; 720.88] | J/mol×K | [658.03; 840.69] |
|
| Cp,gas | 637.22 | J/mol×K | 658.03 | Joback Calculated Property |
| Cp,gas | 653.37 | J/mol×K | 688.47 | Joback Calculated Property |
| Cp,gas | 668.57 | J/mol×K | 718.92 | Joback Calculated Property |
| Cp,gas | 682.87 | J/mol×K | 749.36 | Joback Calculated Property |
| Cp,gas | 696.33 | J/mol×K | 779.80 | Joback Calculated Property |
| Cp,gas | 708.98 | J/mol×K | 810.24 | Joback Calculated Property |
| Cp,gas | 720.88 | J/mol×K | 840.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-trifluoromethyl-N-ethyl-N-hexyl-.
Sources
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