- InChI
- InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H
- InChI Key
- XOKDXPVXJWTSRM-UHFFFAOYSA-N
- Formula
- C7H4IN
- SMILES
- N#Cc1ccc(I)cc1
- Molecular Weight1
- 229.02
- CAS
- 3058-39-7
- Other Names
-
- 4-cyanoiodobenzene
- 4-cyanophenyl iodide
- 4-iodobenzonitrile
- Benzonitrile, p-iodo-
- p-cyanoiodobenzene
- p-cyanophenyl iodide
- p-iodobenzonitrile
- 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 |
|---|---|---|---|
| ΔfG° | 302.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 279.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.97 | kJ/mol | Joback Calculated Property |
| IE | 9.13 | eV | NIST |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 2.163 | Crippen Calculated Property | |
| McVol | 112.930 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Tboil | 586.44 | K | Joback Calculated Property |
| Tc | 857.62 | K | Joback Calculated Property |
| Tfus | 398.61 | K | Thermod... |
| Vc | 0.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.95; 231.79] | J/mol×K | [586.44; 857.62] | 
|
| Cp,gas | 194.95 | J/mol×K | 586.44 | Joback Calculated Property |
| Cp,gas | 202.63 | J/mol×K | 631.64 | Joback Calculated Property |
| Cp,gas | 209.62 | J/mol×K | 676.83 | Joback Calculated Property |
| Cp,gas | 215.97 | J/mol×K | 722.03 | Joback Calculated Property |
| Cp,gas | 221.74 | J/mol×K | 767.23 | Joback Calculated Property |
| Cp,gas | 226.99 | J/mol×K | 812.42 | Joback Calculated Property |
| Cp,gas | 231.79 | J/mol×K | 857.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 4-iodo-.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic and aromaticity studies for the assessment of the halogen...cyano interactions on Iodobenzonitrile
- Joback Method
- McGowan Method
- NIST Webbook
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