- InChI
- InChI=1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
- InChI Key
- PNXWQTYSBFGIFD-UHFFFAOYSA-N
- Formula
- C8H6IN
- SMILES
- N#CCc1ccc(I)cc1
- Molecular Weight1
- 243.04
- CAS
- 51628-12-7
- 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° | 310.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 258.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 2.357 | Crippen Calculated Property | |
| McVol | 127.020 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Tboil | 609.32 | K | Joback Calculated Property |
| Tc | 873.92 | K | Joback Calculated Property |
| Tfus | 341.91 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.40; 281.92] | J/mol×K | [609.32; 873.92] | 
|
| Cp,gas | 238.40 | J/mol×K | 609.32 | Joback Calculated Property |
| Cp,gas | 247.34 | J/mol×K | 653.42 | Joback Calculated Property |
| Cp,gas | 255.52 | J/mol×K | 697.52 | Joback Calculated Property |
| Cp,gas | 263.01 | J/mol×K | 741.62 | Joback Calculated Property |
| Cp,gas | 269.87 | J/mol×K | 785.72 | Joback Calculated Property |
| Cp,gas | 276.15 | J/mol×K | 829.82 | Joback Calculated Property |
| Cp,gas | 281.92 | J/mol×K | 873.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Iodophenylacetonitrile.
Sources
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