- InChI
- InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
- InChI Key
- AVRQBXVUUXHRMY-UHFFFAOYSA-N
- Formula
- C7H5F2NO
- SMILES
- NC(=O)c1c(F)cccc1F
- Molecular Weight1
- 157.12
- CAS
- 18063-03-1
- Other Names
-
- Benzamide, 2,6-difluoro-
- 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).
- 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° | -350.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.53 | kJ/mol | Joback Calculated Property |
| IE | 9.70 | eV | NIST |
| log10WS | -2.31 | Crippen Calculated Property | |
| logPoct/wat | 1.064 | Crippen Calculated Property | |
| McVol | 100.820 | ml/mol | McGowan Calculated Property |
| Pc | 4114.41 | kPa | Joback Calculated Property |
| Tboil | 521.14 | K | Joback Calculated Property |
| Tc | 736.51 | K | Joback Calculated Property |
| Tfus | 354.48 | K | Joback Calculated Property |
| Vc | 0.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.62; 261.74] | J/mol×K | [521.14; 736.51] | 
|
| Cp,gas | 216.62 | J/mol×K | 521.14 | Joback Calculated Property |
| Cp,gas | 225.43 | J/mol×K | 557.04 | Joback Calculated Property |
| Cp,gas | 233.71 | J/mol×K | 592.93 | Joback Calculated Property |
| Cp,gas | 241.46 | J/mol×K | 628.83 | Joback Calculated Property |
| Cp,gas | 248.70 | J/mol×K | 664.72 | Joback Calculated Property |
| Cp,gas | 255.46 | J/mol×K | 700.62 | Joback Calculated Property |
| Cp,gas | 261.74 | J/mol×K | 736.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzamide.
Sources
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