- InChI
- InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
- InChI Key
- BNPWVUJOPCGHIK-UHFFFAOYSA-N
- Formula
- C6H4F2O
- SMILES
- Oc1ccc(F)c(F)c1
- Molecular Weight1
- 130.09
- CAS
- 2713-33-9
- Other Names
-
- Phenol, 3,4-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).
- ΔsubH° : Enthalpy of sublimation 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -441.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.89 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 72.90 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 43.27 | kJ/mol | Joback Calculated Property |
| log10WS | -1.68 | Crippen 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 | 447.50 | K | Joback Calculated Property |
| Tc | 657.32 | K | Joback Calculated Property |
| Tfus | 309.22 | K | Joback Calculated Property |
| Vc | 0.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.73; 202.48] | J/mol×K | [447.50; 657.32] | 
|
| Cp,gas | 162.73 | J/mol×K | 447.50 | Joback Calculated Property |
| Cp,gas | 170.76 | J/mol×K | 482.47 | Joback Calculated Property |
| Cp,gas | 178.16 | J/mol×K | 517.44 | Joback Calculated Property |
| Cp,gas | 184.98 | J/mol×K | 552.41 | Joback Calculated Property |
| Cp,gas | 191.27 | J/mol×K | 587.38 | Joback Calculated Property |
| Cp,gas | 197.08 | J/mol×K | 622.35 | Joback Calculated Property |
| Cp,gas | 202.48 | J/mol×K | 657.32 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 358.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Difluorophenol.
Sources
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