- InChI
- InChI=1S/C2H2IN/c3-1-2-4/h1H2
- InChI Key
- VODKOOOHHCAWFR-UHFFFAOYSA-N
- Formula
- C2H2IN
- SMILES
- N#CCI
- Molecular Weight1
- 166.95
- CAS
- 624-75-9
- Other Names
-
- Acetonitrile, iodo-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 157.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 157.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.90 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 0.945 | Crippen Calculated Property | |
| McVol | 66.240 | ml/mol | McGowan Calculated Property |
| Pc | 4710.65 | kPa | Joback Calculated Property |
| Tboil | 440.38 | K | Joback Calculated Property |
| Tc | 676.47 | K | Joback Calculated Property |
| Tfus | 235.35 | K | Joback Calculated Property |
| Vc | 0.262 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [81.26; 95.48] | J/mol×K | [440.38; 676.47] | 
|
| Cp,gas | 81.26 | J/mol×K | 440.38 | Joback Calculated Property |
| Cp,gas | 84.10 | J/mol×K | 479.73 | Joback Calculated Property |
| Cp,gas | 86.74 | J/mol×K | 519.08 | Joback Calculated Property |
| Cp,gas | 89.18 | J/mol×K | 558.43 | Joback Calculated Property |
| Cp,gas | 91.43 | J/mol×K | 597.78 | Joback Calculated Property |
| Cp,gas | 93.53 | J/mol×K | 637.12 | Joback Calculated Property |
| Cp,gas | 95.48 | J/mol×K | 676.47 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 456.20 | K | 96.00 | NIST |
Similar Compounds
Find more compounds similar to Iodoacetonitrile.
Sources
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