- InChI
- InChI=1S/C27H41F6NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-25(35)23-21-22(26(28,29)30)18-19-24(23)27(31,32)33/h18-19,21H,2-17,20H2,1H3,(H,34,35)
- InChI Key
- ODFYJBAMFCJWBB-UHFFFAOYSA-N
- Formula
- C27H41F6NO
- SMILES
-
CCCCCCCCCCCCCCCCCCNC(=O)c1cc(C
(F)(F)F)ccc1C(F)(F)F - Molecular Weight1
- 509.61
- 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 | 1.2159 | Relay (1.0) Calculated Property | |
| ΔfG° | -933.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1734.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.716 | Crippen Calculated Property | |
| McVol | 389.700 | ml/mol | McGowan Calculated Property |
| Pc | 744.48 | kPa | Joback Calculated Property |
| Inp | 2824.00 | NIST | |
| Tboil | 676.61 | K | Relay (1.0) Calculated Property |
| Tc | 900.05 | K | Relay (1.0) Calculated Property |
| Tfus | 375.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1330.80; 1433.73] | J/mol×K | [947.00; 1165.97] | 
|
| Cp,gas | 1330.80 | J/mol×K | 947.00 | Joback Calculated Property |
| Cp,gas | 1350.46 | J/mol×K | 983.50 | Joback Calculated Property |
| Cp,gas | 1368.93 | J/mol×K | 1019.99 | Joback Calculated Property |
| Cp,gas | 1386.36 | J/mol×K | 1056.49 | Joback Calculated Property |
| Cp,gas | 1402.87 | J/mol×K | 1092.98 | Joback Calculated Property |
| Cp,gas | 1418.62 | J/mol×K | 1129.48 | Joback Calculated Property |
| Cp,gas | 1433.73 | J/mol×K | 1165.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,5-di(trifluoromethyl)-N-octadecyl-.
Sources
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