- InChI
- InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
- InChI Key
- INXKVYFOWNAVMU-UHFFFAOYSA-N
- Formula
- C6H4F2O
- SMILES
- Oc1cc(F)ccc1F
- Molecular Weight1
- 130.09
- Other Names
-
- Phenol,2,5-difluoro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 68.00 | kJ/mol | Calorimetric and computational thermochemical study of difluorophenol isomers |
| ΔsubH° | 68.00 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 56.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 ± 0.02 | eV | NIST |
| logPoct/wat | 1.670 | Crippen Calculated Property | |
| McVol | 81.050 | ml/mol | McGowan Calculated Property |
| Tboil | 430.99 | K | Relay (1.0) Calculated Property |
| Tfus | 310.86 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [162.78; 202.52] | J/mol×K | [447.70; 657.62] | 
|
| Cp,gas | 162.78 | J/mol×K | 447.70 | Joback Calculated Property |
| Cp,gas | 170.81 | J/mol×K | 482.69 | Joback Calculated Property |
| Cp,gas | 178.21 | J/mol×K | 517.67 | Joback Calculated Property |
| Cp,gas | 185.03 | J/mol×K | 552.66 | Joback Calculated Property |
| Cp,gas | 191.32 | J/mol×K | 587.64 | Joback Calculated Property |
| Cp,gas | 197.13 | J/mol×K | 622.63 | Joback Calculated Property |
| Cp,gas | 202.52 | J/mol×K | 657.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorophenol.
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
- Calorimetric and computational thermochemical study of difluorophenol isomers
- 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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