- InChI
- InChI=1S/C22H34F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-21(27)19-15-14-16-20(18-19)22(23,24)25/h14-16,18H,2-13,17H2,1H3,(H,26,27)
- InChI Key
- HQZUMJRIVUMZHV-UHFFFAOYSA-N
- Formula
- C22H34F3NO
- SMILES
-
CCCCCCCCCCCCCCNC(=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 | 1.0094 | Relay (... Calculated Property | |
| ΔfG° | -383.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1034.15 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.51 | eV | Relay (... Calculated Property |
| log10WS | -7.29 | Relay (... Calculated Property | |
| logPoct/wat | 7.136 | Crippen Calculated Property | |
| McVol | 313.940 | ml/mol | McGowan Calculated Property |
| Pc | 1072.17 | kPa | Joback Calculated Property |
| Inp | [2610.00; 2610.00] |
|
|
| Inp | 2610.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Tboil | 646.28 | K | Relay (... Calculated Property |
| Tc | 861.14 | K | Relay (... Calculated Property |
| Tfus | 342.64 | K | Relay (... Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1000.70; 1090.86] | J/mol×K | [833.04; 1023.50] |
|
| Cp,gas | 1000.70 | J/mol×K | 833.04 | Joback Calculated Property |
| Cp,gas | 1018.04 | J/mol×K | 864.78 | Joback Calculated Property |
| Cp,gas | 1034.37 | J/mol×K | 896.53 | Joback Calculated Property |
| Cp,gas | 1049.75 | J/mol×K | 928.27 | Joback Calculated Property |
| Cp,gas | 1064.24 | J/mol×K | 960.01 | Joback Calculated Property |
| Cp,gas | 1077.93 | J/mol×K | 991.76 | Joback Calculated Property |
| Cp,gas | 1090.86 | J/mol×K | 1023.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-(trifluoromethyl)-N-tetradecyl-.
Sources
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