- InChI
- InChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2
- InChI Key
- PNROREDTZJCOHF-UHFFFAOYSA-N
- Formula
- C8H5Cl2NO
- SMILES
- N#CCOc1cc(Cl)cc(Cl)c1
- Molecular Weight1
- 202.04
- CAS
- 103140-12-1
- 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 | 0.5669 | Relay (... Calculated Property | |
| ΔfG° | 113.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.71 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -3.75 | Relay (... Calculated Property | |
| logPoct/wat | 2.896 | Crippen Calculated Property | |
| McVol | 131.550 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Tboil | 539.82 | K | Relay (... Calculated Property |
| Tc | 797.11 | K | Relay (... Calculated Property |
| Tfus | 339.49 | K | Relay (... Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.20; 303.39] | J/mol×K | [618.44; 857.15] | 
|
| Cp,gas | 262.20 | J/mol×K | 618.44 | Joback Calculated Property |
| Cp,gas | 270.43 | J/mol×K | 658.22 | Joback Calculated Property |
| Cp,gas | 278.10 | J/mol×K | 698.01 | Joback Calculated Property |
| Cp,gas | 285.22 | J/mol×K | 737.79 | Joback Calculated Property |
| Cp,gas | 291.81 | J/mol×K | 777.58 | Joback Calculated Property |
| Cp,gas | 297.86 | J/mol×K | 817.36 | Joback Calculated Property |
| Cp,gas | 303.39 | J/mol×K | 857.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dichlorophenoxyacetonitrile.
Sources
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