- InChI
- InChI=1S/C7H6FI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
- InChI Key
- DYQIYXDSKUUZRI-UHFFFAOYSA-N
- Formula
- C7H6FI
- SMILES
- Cc1cc(I)ccc1F
- Molecular Weight1
- 236.03
- CAS
- 452-68-6
- Other Names
-
- Benzene, 1-fluoro-4-iodo-2-methyl-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -35.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 2.739 | Crippen Calculated Property | |
| McVol | 113.320 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Tboil | 488.61 | K | Joback Calculated Property |
| Tc | 729.14 | K | Joback Calculated Property |
| Tfus | 278.76 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.78; 238.48] | J/mol×K | [488.61; 729.14] | 
|
| Cp,gas | 190.78 | J/mol×K | 488.61 | Joback Calculated Property |
| Cp,gas | 200.25 | J/mol×K | 528.70 | Joback Calculated Property |
| Cp,gas | 209.06 | J/mol×K | 568.79 | Joback Calculated Property |
| Cp,gas | 217.26 | J/mol×K | 608.88 | Joback Calculated Property |
| Cp,gas | 224.87 | J/mol×K | 648.96 | Joback Calculated Property |
| Cp,gas | 231.93 | J/mol×K | 689.05 | Joback Calculated Property |
| Cp,gas | 238.48 | J/mol×K | 729.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-5-iodotoluene.
Sources
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