- InChI
- InChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
- InChI Key
- RPEPGIOVXBBUMJ-UHFFFAOYSA-N
- Formula
- C6H4F2O
- SMILES
- Oc1cccc(F)c1F
- Molecular Weight1
- 130.09
- CAS
- 6418-38-8
- ω : Acentric Factor.
- 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).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ω | 0.4612 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -468.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.20 | kJ/mol | Calorimetric and computational thermochemical study of difluorophenol isomers |
| ΔsubH° | 68.20 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 51.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.670 | Crippen Calculated Property | |
| McVol | 81.050 | ml/mol | McGowan Calculated Property |
| Pc | 4966.33 | kPa | Joback Calculated Property |
| Tboil | 427.70 | K | Relay (1.0) Calculated Property |
| Tc | 647.24 | K | Relay (1.0) Calculated Property |
| Tfus | 285.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.274 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.34; 243.87] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.89100e+01 | |||
| Coefficient B | 6.13600e-01 | |||
| Coefficient C | -5.55920e-04 | |||
| Coefficient D | 2.05100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 159.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 177.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 192.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 205.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 216.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 225.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 234.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 243.87 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Difluorophenol.
Sources
- Cheméo Relay (1.0)
- 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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