- InChI
- InChI=1S/C7H4F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
- InChI Key
- SOWRUJSGHKNOKN-UHFFFAOYSA-N
- Formula
- C7H4F2O
- SMILES
- O=Cc1c(F)cccc1F
- Molecular Weight1
- 142.10
- CAS
- 437-81-0
- Other Names
-
- Benzaldehyde, 2,6-difluoro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -414.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.777 | Crippen Calculated Property | |
| McVol | 90.840 | ml/mol | McGowan Calculated Property |
| Tboil | 440.77 | K | Relay (1.0) Calculated Property |
| Tc | 676.89 | K | Relay (1.0) Calculated Property |
| Tfus | 287.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.73; 215.60] | J/mol×K | [443.60; 642.11] | 
|
| Cp,gas | 172.73 | J/mol×K | 443.60 | Joback Calculated Property |
| Cp,gas | 180.92 | J/mol×K | 476.68 | Joback Calculated Property |
| Cp,gas | 188.68 | J/mol×K | 509.77 | Joback Calculated Property |
| Cp,gas | 196.01 | J/mol×K | 542.85 | Joback Calculated Property |
| Cp,gas | 202.93 | J/mol×K | 575.94 | Joback Calculated Property |
| Cp,gas | 209.46 | J/mol×K | 609.02 | Joback Calculated Property |
| Cp,gas | 215.60 | J/mol×K | 642.11 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 356.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzaldehyde.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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