- InChI
- InChI=1S/C22H34F3NO/c1-3-5-6-7-8-9-10-11-12-13-17-26(4-2)21(27)19-15-14-16-20(18-19)22(23,24)25/h14-16,18H,3-13,17H2,1-2H3
- InChI Key
- OKZFYYKQZYZLLN-UHFFFAOYSA-N
- Formula
- C22H34F3NO
- SMILES
-
CCCCCCCCCCCCN(CC)C(=O)c1cccc(C
(F)(F)F)c1 - Molecular Weight1
- 385.51
- 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 | 0.9580 | Relay (1.0) Calculated Property | |
| ΔfG° | -362.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1002.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.088 | Crippen Calculated Property | |
| McVol | 313.940 | ml/mol | McGowan Calculated Property |
| Pc | 1061.71 | kPa | Joback Calculated Property |
| Inp | [2766.00; 2766.00] |
|
|
| Inp | 2766.00 | NIST | |
| Inp | 2766.00 | NIST | |
| Tboil | 643.39 | K | Relay (1.0) Calculated Property |
| Tc | 834.72 | K | Relay (1.0) Calculated Property |
| Tfus | 316.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.176 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.21; 1073.98] | J/mol×K | [795.31; 979.76] |
|
| Cp,gas | 980.21 | J/mol×K | 795.31 | Joback Calculated Property |
| Cp,gas | 998.17 | J/mol×K | 826.05 | Joback Calculated Property |
| Cp,gas | 1015.12 | J/mol×K | 856.79 | Joback Calculated Property |
| Cp,gas | 1031.11 | J/mol×K | 887.54 | Joback Calculated Property |
| Cp,gas | 1046.20 | J/mol×K | 918.28 | Joback Calculated Property |
| Cp,gas | 1060.48 | J/mol×K | 949.02 | Joback Calculated Property |
| Cp,gas | 1073.98 | J/mol×K | 979.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-trifluoromethyl-N-ethyl-N-dodecyl-.
Sources
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