- InChI
- InChI=1S/C6H8ClNO2/c1-3-10-5(9)6(2,7)4-8/h3H2,1-2H3
- InChI Key
- WVSHMLDANLHKIZ-UHFFFAOYSA-N
- Formula
- C6H8ClNO2
- SMILES
- CCOC(=O)C(C)(Cl)C#N
- Molecular Weight1
- 161.59
- CAS
- 116374-01-7
- 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 | 0.4243 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.071 | Crippen Calculated Property | |
| McVol | 116.460 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Tboil | 462.72 | K | Relay (1.0) Calculated Property |
| Tc | 645.79 | K | Relay (1.0) Calculated Property |
| Tfus | 300.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.79; 292.67] | J/mol×K | [549.25; 764.61] | 
|
| Cp,gas | 248.79 | J/mol×K | 549.25 | Joback Calculated Property |
| Cp,gas | 257.39 | J/mol×K | 585.14 | Joback Calculated Property |
| Cp,gas | 265.45 | J/mol×K | 621.04 | Joback Calculated Property |
| Cp,gas | 272.98 | J/mol×K | 656.93 | Joback Calculated Property |
| Cp,gas | 280.02 | J/mol×K | 692.83 | Joback Calculated Property |
| Cp,gas | 286.58 | J/mol×K | 728.72 | Joback Calculated Property |
| Cp,gas | 292.67 | J/mol×K | 764.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-chloro-2-cyanopropanoate.
Sources
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