- InChI
- InChI=1S/C25H37F6NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-32-23(33)21-19-20(24(26,27)28)16-17-22(21)25(29,30)31/h16-17,19H,2-15,18H2,1H3,(H,32,33)
- InChI Key
- KBJIBJRHDNWYDU-UHFFFAOYSA-N
- Formula
- C25H37F6NO
- SMILES
-
CCCCCCCCCCCCCCCCNC(=O)c1cc(C(F
)(F)F)ccc1C(F)(F)F - Molecular Weight1
- 481.56
- 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 | 1.1442 | Relay (1.0) Calculated Property | |
| ΔfG° | -949.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1697.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.935 | Crippen Calculated Property | |
| McVol | 361.520 | ml/mol | McGowan Calculated Property |
| Pc | 829.07 | kPa | Joback Calculated Property |
| Inp | [2625.00; 2625.00] |
|
|
| Inp | 2625.00 | NIST | |
| Inp | 2625.00 | NIST | |
| Tboil | 660.70 | K | Relay (1.0) Calculated Property |
| Tc | 884.69 | K | Relay (1.0) Calculated Property |
| Tfus | 371.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.373 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1205.82; 1300.58] | J/mol×K | [901.24; 1104.60] |
|
| Cp,gas | 1205.82 | J/mol×K | 901.24 | Joback Calculated Property |
| Cp,gas | 1223.96 | J/mol×K | 935.13 | Joback Calculated Property |
| Cp,gas | 1241.02 | J/mol×K | 969.03 | Joback Calculated Property |
| Cp,gas | 1257.11 | J/mol×K | 1002.92 | Joback Calculated Property |
| Cp,gas | 1272.34 | J/mol×K | 1036.81 | Joback Calculated Property |
| Cp,gas | 1286.79 | J/mol×K | 1070.70 | Joback Calculated Property |
| Cp,gas | 1300.58 | J/mol×K | 1104.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-di(trifluoromethyl)-N-hexadecyl-.
Sources
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