- InChI
- InChI=1S/C6H3F2I/c7-4-1-2-6(9)5(8)3-4/h1-3H
- InChI Key
- YKLDMAPEGQYZRT-UHFFFAOYSA-N
- Formula
- C6H3F2I
- SMILES
- Fc1ccc(I)c(F)c1
- Molecular Weight1
- 239.99
- CAS
- 2265-93-2
- Other Names
-
- 1,3-Difluoro-4-iodobenzene
- 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).
- 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 | 0.3028 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.569 | Crippen Calculated Property | |
| McVol | 101.000 | ml/mol | McGowan Calculated Property |
| Pc | 3881.95 | kPa | Joback Calculated Property |
| Tboil | 451.82 | K | Relay (1.0) Calculated Property |
| Tc | 690.88 | K | Relay (1.0) Calculated Property |
| Tfus | 264.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.362 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.77; 198.50] | J/mol×K | [465.00; 696.31] | 
|
| Cp,gas | 160.77 | J/mol×K | 465.00 | Joback Calculated Property |
| Cp,gas | 168.32 | J/mol×K | 503.55 | Joback Calculated Property |
| Cp,gas | 175.32 | J/mol×K | 542.10 | Joback Calculated Property |
| Cp,gas | 181.81 | J/mol×K | 580.65 | Joback Calculated Property |
| Cp,gas | 187.81 | J/mol×K | 619.20 | Joback Calculated Property |
| Cp,gas | 193.37 | J/mol×K | 657.75 | Joback Calculated Property |
| Cp,gas | 198.50 | J/mol×K | 696.31 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 348.00 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Difluoroiodobenzene.
Sources
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