- InChI
- InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
- InChI Key
- VSKSBSORLCDRHS-UHFFFAOYSA-N
- Formula
- C6H4FI
- SMILES
- Fc1cccc(I)c1
- Molecular Weight1
- 222.00
- CAS
- 1121-86-4
- Other Names
-
- 1,3-fluoroiodobenzene
- 1-fluoro-3-iodobenzene
- 3-Fluoroiodobenzene
- 3-Iodofluorobenzene
- m-Fluorobenzene
- m-Fluoroiodobenzene
- m-Iodofluorobenzene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 0.2700 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -10.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.430 | Crippen Calculated Property | |
| McVol | 99.230 | ml/mol | McGowan Calculated Property |
| Pc | 4189.32 | kPa | Joback Calculated Property |
| Tboil | 453.27 | K | Relay (1.0) Calculated Property |
| Tc | 703.10 | K | Relay (1.0) Calculated Property |
| Tfus | 231.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.63; 194.34] | J/mol×K | [460.75; 704.26] | 
|
| Cp,gas | 152.63 | J/mol×K | 460.75 | Joback Calculated Property |
| Cp,gas | 161.13 | J/mol×K | 501.33 | Joback Calculated Property |
| Cp,gas | 168.95 | J/mol×K | 541.92 | Joback Calculated Property |
| Cp,gas | 176.13 | J/mol×K | 582.50 | Joback Calculated Property |
| Cp,gas | 182.73 | J/mol×K | 623.09 | Joback Calculated Property |
| Cp,gas | 188.79 | J/mol×K | 663.67 | Joback Calculated Property |
| Cp,gas | 194.34 | J/mol×K | 704.26 | Joback Calculated Property |
| ΔvapH | 48.60 | kJ/mol | 298.15 | Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [350.50; 350.70] | K | [2.50; 2.50] |
|
| Tboilr | 350.70 | K | 2.50 | NIST |
| Tboilr | 350.50 ± 0.50 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-3-iodo-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes
- Joback Method
- McGowan Method
- NIST Webbook
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