- InChI
- InChI=1S/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2
- InChI Key
- RJJDLPQZNANQDQ-UHFFFAOYSA-N
- Formula
- C3H3Cl2N
- SMILES
- N#CC(Cl)CCl
- Molecular Weight1
- 123.97
- CAS
- 2601-89-0
- Other Names
-
- Propanenitrile, 2,3-dichloro-
- Alpha,beta-dichloropropionitrile
- 2,3-dichloropropiononitrile
- 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 | 0.3621 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.356 | Crippen Calculated Property | |
| McVol | 78.990 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Tboil | 427.75 | K | Relay (1.0) Calculated Property |
| Tc | 648.12 | K | Relay (1.0) Calculated Property |
| Tfus | 285.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.289 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.35; 145.46] | J/mol×K | [444.54; 658.60] | 
|
| Cp,gas | 122.35 | J/mol×K | 444.54 | Joback Calculated Property |
| Cp,gas | 126.81 | J/mol×K | 480.22 | Joback Calculated Property |
| Cp,gas | 131.02 | J/mol×K | 515.89 | Joback Calculated Property |
| Cp,gas | 134.97 | J/mol×K | 551.57 | Joback Calculated Property |
| Cp,gas | 138.69 | J/mol×K | 587.25 | Joback Calculated Property |
| Cp,gas | 142.19 | J/mol×K | 622.92 | Joback Calculated Property |
| Cp,gas | 145.46 | J/mol×K | 658.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dichloropropionitrile.
Sources
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