- InChI
- InChI=1S/C12H4F4O2/c13-5-1-3-7-11(9(5)15)18-8-4-2-6(14)10(16)12(8)17-7/h1-4H
- InChI Key
- NATCITNWZSCRQV-UHFFFAOYSA-N
- Formula
- C12H4F4O2
- SMILES
- Fc1ccc2c(c1F)Oc1ccc(F)c(F)c1O2
- Molecular Weight1
- 256.15
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5601 | Relay (1.0) Calculated Property | |
| ΔfusH° | 40.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.141 | Crippen Calculated Property | |
| McVol | 140.380 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [1577.00; 1577.00] |
|
|
| Inp | 1577.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Tboil | 526.15 | K | Relay (1.0) Calculated Property |
| Tc | 807.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.559 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [207.54; 421.75] | 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 | 1.79100e+01 | |||
| Coefficient B | 8.57200e-01 | |||
| Coefficient C | -6.48960e-04 | |||
| Coefficient D | 1.95600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 283.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 314.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 339.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 361.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 379.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 395.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 409.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 421.75 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,6,7-Tetrafluoro-DBD.
Sources
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