- InChI
- InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
- InChI Key
- ZQXLIXHVJVAPLW-UHFFFAOYSA-N
- Formula
- C6H4ClFO
- SMILES
- Oc1ccc(F)c(Cl)c1
- Molecular Weight1
- 146.55
- CAS
- 2613-23-2
- Other Names
-
- Phenol, 3-chloro-4-fluoro-
- 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).
- 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° | -258.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -331.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 2.185 | Crippen Calculated Property | |
| McVol | 91.520 | ml/mol | McGowan Calculated Property |
| Pc | 5022.80 | kPa | Joback Calculated Property |
| Tboil | 485.66 | K | Joback Calculated Property |
| Tc | 713.84 | K | Joback Calculated Property |
| Tfus | 338.55 | K | Joback Calculated Property |
| Vc | 0.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.28; 212.86] | J/mol×K | [485.66; 713.84] | 
|
| Cp,gas | 175.28 | J/mol×K | 485.66 | Joback Calculated Property |
| Cp,gas | 182.99 | J/mol×K | 523.69 | Joback Calculated Property |
| Cp,gas | 190.04 | J/mol×K | 561.72 | Joback Calculated Property |
| Cp,gas | 196.47 | J/mol×K | 599.75 | Joback Calculated Property |
| Cp,gas | 202.38 | J/mol×K | 637.78 | Joback Calculated Property |
| Cp,gas | 207.82 | J/mol×K | 675.81 | Joback Calculated Property |
| Cp,gas | 212.86 | J/mol×K | 713.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.00 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 3-Chloro-4-fluorophenol.
Sources
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