- InChI
- InChI=1S/C14H9ClF3NO/c1-7-2-4-11(17)12(13(7)18)14(20)19-8-3-5-10(16)9(15)6-8/h2-6H,1H3,(H,19,20)
- InChI Key
- PLFZIWCDIKVLHR-UHFFFAOYSA-N
- Formula
- C14H9ClF3NO
- SMILES
-
Cc1ccc(F)c(C(=O)Nc2ccc(F)c(Cl)
c2)c1F - Molecular Weight1
- 299.68
- 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° | -392.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.74 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 4.318 | Crippen Calculated Property | |
| McVol | 189.700 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Inp | 2290.00 | NIST | |
| Tboil | 737.26 | K | Joback Calculated Property |
| Tc | 957.29 | K | Joback Calculated Property |
| Tfus | 497.26 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.42; 537.15] | J/mol×K | [737.26; 957.29] | 
|
| Cp,gas | 482.42 | J/mol×K | 737.26 | Joback Calculated Property |
| Cp,gas | 493.52 | J/mol×K | 773.93 | Joback Calculated Property |
| Cp,gas | 503.79 | J/mol×K | 810.60 | Joback Calculated Property |
| Cp,gas | 513.26 | J/mol×K | 847.28 | Joback Calculated Property |
| Cp,gas | 521.95 | J/mol×K | 883.95 | Joback Calculated Property |
| Cp,gas | 529.90 | J/mol×K | 920.62 | Joback Calculated Property |
| Cp,gas | 537.15 | J/mol×K | 957.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoro-3-methylbenzamide, N-(3-chloro-4-fluorophenyl)-.
Sources
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