- 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
- CAS
- 827-15-6
- Other Names
-
- Iodopentafluorobenzene
- Pentafluoroiodobenzene
- Pentafluorophenyl iodide
- Iodoperfluorobenzene
- 2,3,4,5,6-Pentafluoroiodobenzene
- Perfluoroiodobenzene
- 1,2,3,4,5-Pentafluoro-6-iodo-benzene
- 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).
- 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 |
|---|---|---|---|
| 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 |
| log10WS | -4.28 | Crippen Calculated Property | |
| 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 | 677.68 | K | Joback Calculated Property |
| Tfus | 307.41 | K | Joback Calculated Property |
| Vc | 0.442 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.49; 212.01] | J/mol×K | [477.75; 677.68] |
|
| Cp,gas | 184.49 | J/mol×K | 477.75 | Joback Calculated Property |
| Cp,gas | 189.71 | J/mol×K | 511.07 | Joback Calculated Property |
| Cp,gas | 194.67 | J/mol×K | 544.39 | Joback Calculated Property |
| Cp,gas | 199.37 | J/mol×K | 577.71 | Joback Calculated Property |
| Cp,gas | 203.82 | J/mol×K | 611.03 | Joback Calculated Property |
| Cp,gas | 208.04 | J/mol×K | 644.36 | Joback Calculated Property |
| Cp,gas | 212.01 | J/mol×K | 677.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, pentafluoroiodo-.
Sources
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