- InChI
- InChI=1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
- InChI Key
- IJGSULQFKYOYEU-UHFFFAOYSA-N
- Formula
- C6H3F3O
- SMILES
- Oc1ccc(F)c(F)c1F
- Molecular Weight1
- 148.08
- Other Names
-
- Phenol,2,3,4-trifluoro-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4871 | Relay (1.0) Calculated Property | |
| ΔfusH° | 19.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 ± 0.02 | eV | NIST |
| logPoct/wat | 1.810 | Crippen Calculated Property | |
| McVol | 82.820 | ml/mol | McGowan Calculated Property |
| Pc | 4571.55 | kPa | Joback Calculated Property |
| Inp | [930.30; 930.30] |
|
|
| Inp | 930.30 | NIST | |
| Inp | 930.30 | NIST | |
| Tboil | 423.23 | K | Relay (1.0) Calculated Property |
| Tc | 634.22 | K | Relay (1.0) Calculated Property |
| Tfus | 305.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.292 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.09; 247.90] | 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 | 1.48000e+00 | |||
| Coefficient B | 5.65900e-01 | |||
| Coefficient C | -5.05280e-04 | |||
| Coefficient D | 1.85800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 146.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 167.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 184.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 198.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 210.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 221.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 230.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 239.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 247.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorophenol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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