- 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
-
- 2,3,5,6-Tetrafluoromethoxybenzene
- Benzene, 1,2,4,5-tetrafluoro-3-methoxy-
- Anisole, 2,3,5,6-tetrafluoro-
- 1,2,4,5-Tetrafluoro-3-methoxybenzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| EA | 0.22 ± 0.09 | eV | NIST |
| ΔfG° | -802.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.24 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen 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 | 599.90 | K | Joback Calculated Property |
| Tfus | 269.74 | K | Joback Calculated Property |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.49; 236.91] | J/mol×K | [425.66; 599.90] | 
|
| Cp,gas | 196.49 | J/mol×K | 425.66 | Joback Calculated Property |
| Cp,gas | 203.76 | J/mol×K | 454.70 | Joback Calculated Property |
| Cp,gas | 210.82 | J/mol×K | 483.74 | Joback Calculated Property |
| Cp,gas | 217.67 | J/mol×K | 512.78 | Joback Calculated Property |
| Cp,gas | 224.30 | J/mol×K | 541.82 | Joback Calculated Property |
| Cp,gas | 230.72 | J/mol×K | 570.86 | Joback Calculated Property |
| Cp,gas | 236.91 | J/mol×K | 599.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5,6-Tetrafluoroanisole.
Sources
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