- InChI
- InChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3
- InChI Key
- AXCOCGJDERQVDK-UHFFFAOYSA-N
- Formula
- C7H4F4O
- SMILES
- COc1c(F)c(F)cc(F)c1F
- Molecular Weight1
- 180.10
- CAS
- 2324-98-3
- Other Names
-
- 1,2,4,5-Tetrafluoro-3-methoxybenzene
- 2,3,5,6-Tetrafluoromethoxybenzene
- Anisole, 2,3,5,6-tetrafluoro-
- Benzene, 1,2,4,5-tetrafluoro-3-methoxy-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- IE : Ionization energy (eV).
- 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 | 0.4271 | Relay (1.0) Calculated Property | |
| EA | 0.22 ± 0.09 | eV | NIST |
| ΔfH°gas | -739.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.252 | Crippen Calculated Property | |
| McVol | 98.680 | ml/mol | McGowan Calculated Property |
| Pc | 3032.27 | kPa | Joback Calculated Property |
| Tboil | 411.20 | K | NIST |
| Tc | 604.53 | K | Relay (1.0) Calculated Property |
| Tfus | 264.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [155.12; 296.56] | 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 | 6.96800e+01 | |||
| Coefficient B | 3.35920e-01 | |||
| Coefficient C | -7.46400e-05 | |||
| Coefficient D | -3.44000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 236.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 252.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 266.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 278.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 288.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 296.56 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5,6-Tetrafluoroanisole.
Sources
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