- InChI
- InChI=1S/C16H22F3NO/c1-2-3-4-5-6-7-8-11-20-16(21)12-9-10-13(17)15(19)14(12)18/h9-10H,2-8,11H2,1H3,(H,20,21)
- InChI Key
- PROFNFFAEGULRF-UHFFFAOYSA-N
- Formula
- C16H22F3NO
- SMILES
- CCCCCCCCCNC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 301.35
- 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° | -456.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.20 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 4.584 | Crippen Calculated Property | |
| McVol | 229.400 | ml/mol | McGowan Calculated Property |
| Pc | 1565.99 | kPa | Joback Calculated Property |
| Inp | [2034.00; 2034.00] |
|
|
| Inp | 2034.00 | NIST | |
| Inp | 2034.00 | NIST | |
| Tboil | 708.95 | K | Joback Calculated Property |
| Tc | 890.18 | K | Joback Calculated Property |
| Tfus | 438.42 | K | Joback Calculated Property |
| Vc | 0.918 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.82; 729.20] | J/mol×K | [708.95; 890.18] |
|
| Cp,gas | 651.82 | J/mol×K | 708.95 | Joback Calculated Property |
| Cp,gas | 666.58 | J/mol×K | 739.15 | Joback Calculated Property |
| Cp,gas | 680.57 | J/mol×K | 769.36 | Joback Calculated Property |
| Cp,gas | 693.80 | J/mol×K | 799.56 | Joback Calculated Property |
| Cp,gas | 706.30 | J/mol×K | 829.77 | Joback Calculated Property |
| Cp,gas | 718.09 | J/mol×K | 859.97 | Joback Calculated Property |
| Cp,gas | 729.20 | J/mol×K | 890.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2,3,4-trifluoro-N-nonyl-.
Sources
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