- InChI
- InChI=1S/C7H3FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
- InChI Key
- FAACTMVXBNSPJA-UHFFFAOYSA-N
- Formula
- C7H3FIN
- SMILES
- N#Cc1c(F)cccc1I
- Molecular Weight1
- 247.01
- CAS
- 79544-29-9
- 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).
- 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 | 0.3824 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 140.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.302 | Crippen Calculated Property | |
| McVol | 114.700 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Tboil | 516.62 | K | Relay (1.0) Calculated Property |
| Tc | 789.03 | K | Relay (1.0) Calculated Property |
| Tfus | 379.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.61; 235.45] | J/mol×K | [590.69; 848.63] | 
|
| Cp,gas | 201.61 | J/mol×K | 590.69 | Joback Calculated Property |
| Cp,gas | 208.55 | J/mol×K | 633.68 | Joback Calculated Property |
| Cp,gas | 214.91 | J/mol×K | 676.67 | Joback Calculated Property |
| Cp,gas | 220.74 | J/mol×K | 719.66 | Joback Calculated Property |
| Cp,gas | 226.08 | J/mol×K | 762.65 | Joback Calculated Property |
| Cp,gas | 230.97 | J/mol×K | 805.64 | Joback Calculated Property |
| Cp,gas | 235.45 | J/mol×K | 848.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-6-iodobenzonitrile.
Sources
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