- InChI
- InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
- InChI Key
- OPYHNLNYCRZOGY-UHFFFAOYSA-N
- Formula
- C6F5I
- SMILES
- Fc1c(F)c(F)c(I)c(F)c1F
- Molecular Weight1
- 293.96
- Other Names
-
- 1,2,3,4,5-Pentafluoro-6-iodo-benzene
- 2,3,4,5,6-Pentafluoroiodobenzene
- Benzene, pentafluoroiodo-
- Iodoperfluorobenzene
- Pentafluoroiodobenzene
- Pentafluorophenyl iodide
- Perfluoroiodobenzene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3788 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -2201.00 ± 13.00 | kJ/mol | NIST |
| EA | 1.41 ± 0.11 | eV | NIST |
| ΔfG° | -852.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.00 ± 13.00 | kJ/mol | NIST |
| ΔfusH° | 23.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.90 ± 0.20 | kJ/mol | NIST |
| IE | [9.50; 9.54] | eV |
|
| IE | 9.54 | eV | NIST |
| IE | 9.50 ± 0.10 | eV | NIST |
| IE | 9.54 | eV | NIST |
| logPoct/wat | 2.987 | Crippen Calculated Property | |
| McVol | 106.310 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Tboil | [434.20; 439.00] | K |
|
| Tboil | 434.20 | K | NIST |
| Tboil | 439.00 | K | NIST |
| Tc | 634.19 | K | Relay (1.0) Calculated Property |
| Tfus | 244.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.391 | 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 | [146.33; 239.67] | 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 | 7.71700e+01 | |||
| Coefficient B | 2.95400e-01 | |||
| Coefficient C | -1.62000e-04 | |||
| Coefficient D | 2.91000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 146.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 162.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 190.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 201.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 211.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 220.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 228.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 234.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 239.67 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Iodopentafluorobenzene.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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