- InChI
- InChI=1S/C12H2F6O2/c13-3-1-5(15)9-11(7(3)17)20-10-6(16)2-4(14)8(18)12(10)19-9/h1-2H
- InChI Key
- FOADTOVERZWUIR-UHFFFAOYSA-N
- Formula
- C12H2F6O2
- SMILES
-
Fc1cc(F)c2c(c1F)Oc1c(F)cc(F)c(
F)c1O2 - Molecular Weight1
- 292.13
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5918 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -990.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.419 | Crippen Calculated Property | |
| McVol | 143.920 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 501.71 | K | Relay (1.0) Calculated Property |
| Tc | 792.62 | K | Relay (1.0) Calculated Property |
| Tfus | 424.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | 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 | [229.04; 429.81] | 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 | 5.86900e+01 | |||
| Coefficient B | 7.61800e-01 | |||
| Coefficient C | -5.47680e-04 | |||
| Coefficient D | 1.57000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 266.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 327.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 351.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 372.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 389.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 404.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 418.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 429.81 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,6,7,9-Hexafluoro DBD.
Sources
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