- InChI
- InChI=1S/C6F4I2/c7-1-2(8)4(10)6(12)5(11)3(1)9
- InChI Key
- JQBYIZAYQMMVTO-UHFFFAOYSA-N
- Formula
- C6F4I2
- SMILES
- Fc1c(F)c(F)c(I)c(I)c1F
- Molecular Weight1
- 401.87
- Other Names
-
- 1,2,3,4-tetrafluoro-5,6-diiodobenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.3847 | Relay (1.0) Calculated Property | |
| ΔfG° | -599.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.452 | Crippen Calculated Property | |
| McVol | 130.360 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Tboil | 506.41 | K | Relay (1.0) Calculated Property |
| Tc | 709.83 | K | Relay (1.0) Calculated Property |
| Tfus | 325.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.21; 241.77] | 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 | 8.27700e+01 | |||
| Coefficient B | 3.22600e-01 | |||
| Coefficient C | -2.27000e-04 | |||
| Coefficient D | 6.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 171.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 185.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 197.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 207.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 216.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 224.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 231.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 236.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 241.77 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Diiodotetrafluorobenzene.
Sources
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