- InChI
- InChI=1S/C22H33F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-27-21(28)18-14-15-19(20(23)17-18)22(24,25)26/h14-15,17H,2-13,16H2,1H3,(H,27,28)
- InChI Key
- RBQHMTHOAFWVMF-UHFFFAOYSA-N
- Formula
- C22H33F4NO
- SMILES
-
CCCCCCCCCCCCCCNC(=O)c1ccc(C(F)
(F)F)c(F)c1 - Molecular Weight1
- 403.50
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -588.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1136.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.78 | kJ/mol | Joback Calculated Property |
| log10WS | -8.69 | Crippen Calculated Property | |
| logPoct/wat | 7.275 | Crippen Calculated Property | |
| McVol | 315.710 | ml/mol | McGowan Calculated Property |
| Pc | 1031.25 | kPa | Joback Calculated Property |
| Inp | [2598.00; 2598.00] |
|
|
| Inp | 2598.00 | NIST | |
| Inp | 2598.00 | NIST | |
| Tboil | 837.29 | K | Joback Calculated Property |
| Tc | 1026.76 | K | Joback Calculated Property |
| Tfus | 496.53 | K | Joback Calculated Property |
| Vc | 1.262 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1007.71; 1096.05] | J/mol×K | [837.29; 1026.76] |
|
| Cp,gas | 1007.71 | J/mol×K | 837.29 | Joback Calculated Property |
| Cp,gas | 1024.71 | J/mol×K | 868.87 | Joback Calculated Property |
| Cp,gas | 1040.72 | J/mol×K | 900.45 | Joback Calculated Property |
| Cp,gas | 1055.80 | J/mol×K | 932.03 | Joback Calculated Property |
| Cp,gas | 1070.01 | J/mol×K | 963.60 | Joback Calculated Property |
| Cp,gas | 1083.41 | J/mol×K | 995.18 | Joback Calculated Property |
| Cp,gas | 1096.05 | J/mol×K | 1026.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-fluoro-4-trifluoromethyl-N-tetradecyl-.
Sources
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