- InChI
- InChI=1S/C5H5Cl2N/c6-5(7)3-4(5)1-2-8/h4H,1,3H2
- InChI Key
- METYSMJJRFRDPP-UHFFFAOYSA-N
- Formula
- C5H5Cl2N
- SMILES
- N#CCC1CC1(Cl)Cl
- Molecular Weight1
- 150.01
- CAS
- 5365-25-3
- 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 | 0.3668 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 80.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.094 | Crippen Calculated Property | |
| McVol | 96.310 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Tboil | 473.09 | K | Relay (1.0) Calculated Property |
| Tc | 700.23 | K | Relay (1.0) Calculated Property |
| Tfus | 290.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.339 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.89; 219.37] | J/mol×K | [493.05; 722.51] | 
|
| Cp,gas | 181.89 | J/mol×K | 493.05 | Joback Calculated Property |
| Cp,gas | 189.65 | J/mol×K | 531.29 | Joback Calculated Property |
| Cp,gas | 196.60 | J/mol×K | 569.54 | Joback Calculated Property |
| Cp,gas | 202.91 | J/mol×K | 607.78 | Joback Calculated Property |
| Cp,gas | 208.71 | J/mol×K | 646.02 | Joback Calculated Property |
| Cp,gas | 214.15 | J/mol×K | 684.27 | Joback Calculated Property |
| Cp,gas | 219.37 | J/mol×K | 722.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichlorocyclopropylacetonitrile.
Sources
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