- InChI
- InChI=1S/C16H22F3NO2/c1-4-5-6-7-8-10(2)20-16(21)11-9-12(17)14(19)15(22-3)13(11)18/h9-10H,4-8H2,1-3H3,(H,20,21)
- InChI Key
- ACWHZKJYXTYDLE-UHFFFAOYSA-N
- Formula
- C16H22F3NO2
- SMILES
-
CCCCCCC(C)NC(=O)c1cc(F)c(F)c(O
C)c1F - Molecular Weight1
- 317.35
- 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° | -573.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -967.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.97 | Crippen Calculated Property | |
| logPoct/wat | 4.201 | Crippen Calculated Property | |
| McVol | 235.270 | ml/mol | McGowan Calculated Property |
| Pc | 1536.66 | kPa | Joback Calculated Property |
| Inp | 2023.00 | NIST | |
| Tboil | 735.91 | K | Joback Calculated Property |
| Tc | 920.60 | K | Joback Calculated Property |
| Tfus | 458.17 | K | Joback Calculated Property |
| Vc | 0.930 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.95; 755.97] | J/mol×K | [735.91; 920.60] | 
|
| Cp,gas | 679.95 | J/mol×K | 735.91 | Joback Calculated Property |
| Cp,gas | 694.59 | J/mol×K | 766.69 | Joback Calculated Property |
| Cp,gas | 708.43 | J/mol×K | 797.47 | Joback Calculated Property |
| Cp,gas | 721.47 | J/mol×K | 828.25 | Joback Calculated Property |
| Cp,gas | 733.73 | J/mol×K | 859.04 | Joback Calculated Property |
| Cp,gas | 745.23 | J/mol×K | 889.82 | Joback Calculated Property |
| Cp,gas | 755.97 | J/mol×K | 920.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzamide, N-(2-octyl)-.
Sources
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