- InChI
- InChI=1S/C26H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-25(31)23-20-17-18-21-24(23)26(27,28)29/h17-18,20-21H,2-16,19,22H2,1H3,(H,30,31)
- InChI Key
- QODDRVKEXNOFLW-UHFFFAOYSA-N
- Formula
- C26H42F3NO
- SMILES
-
CCCCCCCCCCCCCCCCCCNC(=O)c1cccc
c1C(F)(F)F - Molecular Weight1
- 441.61
- 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 | 1.1495 | Relay (... Calculated Property | |
| ΔfG° | -350.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1109.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 65.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.70 | kJ/mol | Relay (... Calculated Property |
| IE | 9.66 | eV | Relay (... Calculated Property |
| log10WS | -8.20 | Relay (... Calculated Property | |
| logPoct/wat | 8.697 | Crippen Calculated Property | |
| McVol | 370.300 | ml/mol | McGowan Calculated Property |
| Pc | 846.03 | kPa | Joback Calculated Property |
| Inp | [3030.00; 3030.00] |
|
|
| Inp | 3030.00 | NIST | |
| Inp | 3030.00 | NIST | |
| Tboil | 672.93 | K | Relay (... Calculated Property |
| Tc | 888.90 | K | Relay (... Calculated Property |
| Tfus | 344.35 | K | Relay (... Calculated Property |
| Vc | 1.389 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1247.30; 1347.25] | J/mol×K | [924.56; 1132.58] |
|
| Cp,gas | 1247.30 | J/mol×K | 924.56 | Joback Calculated Property |
| Cp,gas | 1266.56 | J/mol×K | 959.23 | Joback Calculated Property |
| Cp,gas | 1284.65 | J/mol×K | 993.90 | Joback Calculated Property |
| Cp,gas | 1301.66 | J/mol×K | 1028.57 | Joback Calculated Property |
| Cp,gas | 1317.70 | J/mol×K | 1063.24 | Joback Calculated Property |
| Cp,gas | 1332.87 | J/mol×K | 1097.91 | Joback Calculated Property |
| Cp,gas | 1347.25 | J/mol×K | 1132.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-(trifluoromethyl)-N-octadecyl-.
Sources
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