- InChI
- InChI=1S/C2HCl2N/c3-2(4)1-5/h2H
- InChI Key
- STZZWJCGRKXEFF-UHFFFAOYSA-N
- Formula
- C2HCl2N
- SMILES
- N#CC(Cl)Cl
- Molecular Weight1
- 109.94
- CAS
- 3018-12-0
- Other Names
-
- Dichloroacetonitrile
- Dichloromethyl cyanide
- 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).
- Inp : Non-polar retention indices.
- 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° | 72.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 43.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.91 | kJ/mol | Joback Calculated Property |
| IE | [12.00; 12.21] | eV |
|
| IE | 12.00 | eV | NIST |
| IE | 12.21 | eV | NIST |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 1.314 | Crippen Calculated Property | |
| McVol | 64.900 | ml/mol | McGowan Calculated Property |
| Pc | 4438.52 | kPa | Joback Calculated Property |
| Inp | [668.00; 693.00] |
|
|
| Inp | 668.00 | NIST | |
| Inp | 693.00 | NIST | |
| Tboil | 385.70 | K | NIST |
| Tc | 638.51 | K | Joback Calculated Property |
| Tfus | 222.13 | K | Joback Calculated Property |
| Vc | 0.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [88.98; 102.97] | J/mol×K | [421.66; 638.51] |
|
| Cp,gas | 88.98 | J/mol×K | 421.66 | Joback Calculated Property |
| Cp,gas | 91.71 | J/mol×K | 457.80 | Joback Calculated Property |
| Cp,gas | 94.28 | J/mol×K | 493.94 | Joback Calculated Property |
| Cp,gas | 96.68 | J/mol×K | 530.08 | Joback Calculated Property |
| Cp,gas | 98.93 | J/mol×K | 566.22 | Joback Calculated Property |
| Cp,gas | 101.02 | J/mol×K | 602.36 | Joback Calculated Property |
| Cp,gas | 102.97 | J/mol×K | 638.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetonitrile, dichloro-.
Sources
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