- InChI
- InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2
- InChI Key
- OYUNTGBISCIYPW-UHFFFAOYSA-N
- Formula
- C3H2ClN
- SMILES
- C=C(Cl)C#N
- Molecular Weight1
- 87.51
- CAS
- 920-37-6
- Other Names
-
- Acrylonitrile, 2-chloro-
- «alpha»-Chloroacrylonitrile
- Chloroacrylonitrile
- 2-Chloroacrylonitrile
- Alpha-chloro acrylonitrile
- Propenenitrile, 2-chloro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| EA | 4.50 | eV | NIST |
| ΔfG° | 174.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 159.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.55 | kJ/mol | Joback Calculated Property |
| IE | 10.58 ± 0.05 | eV | NIST |
| log10WS | -1.45 | Crippen Calculated Property | |
| logPoct/wat | 1.262 | Crippen Calculated Property | |
| McVol | 62.450 | ml/mol | McGowan Calculated Property |
| Pc | 4322.57 | kPa | Joback Calculated Property |
| Tboil | 361.70 | K | NIST |
| Tc | 614.82 | K | Joback Calculated Property |
| Tfus | 202.76 | K | Joback Calculated Property |
| Vc | 0.261 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [90.27; 109.24] | J/mol×K | [404.11; 614.82] | 
|
| Cp,gas | 90.27 | J/mol×K | 404.11 | Joback Calculated Property |
| Cp,gas | 93.96 | J/mol×K | 439.23 | Joback Calculated Property |
| Cp,gas | 97.43 | J/mol×K | 474.35 | Joback Calculated Property |
| Cp,gas | 100.67 | J/mol×K | 509.46 | Joback Calculated Property |
| Cp,gas | 103.72 | J/mol×K | 544.58 | Joback Calculated Property |
| Cp,gas | 106.57 | J/mol×K | 579.70 | Joback Calculated Property |
| Cp,gas | 109.24 | J/mol×K | 614.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenenitrile, 2-chloro-.
Sources
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