- InChI
- InChI=1S/C8H5Cl2NO2/c9-7-2-1-6(8(10)5-7)3-4-11(12)13/h1-5H/b4-3+
- InChI Key
- LIWIJBBAMBDXME-ONEGZZNKSA-N
- Formula
- C8H5Cl2NO2
- SMILES
- O=[N+]([O-])C=Cc1ccc(Cl)cc1Cl
- Molecular Weight1
- 218.04
- CAS
- 34209-97-7
- 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 | 0.4944 | Relay (1.0) Calculated Property | |
| ΔfG° | 201.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 39.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.241 | Crippen Calculated Property | |
| McVol | 137.420 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Tboil | 558.59 | K | Relay (1.0) Calculated Property |
| Tc | 819.39 | K | Relay (1.0) Calculated Property |
| Tfus | 355.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.32; 329.41] | J/mol×K | [649.94; 913.47] | 
|
| Cp,gas | 285.32 | J/mol×K | 649.94 | Joback Calculated Property |
| Cp,gas | 294.45 | J/mol×K | 693.86 | Joback Calculated Property |
| Cp,gas | 302.77 | J/mol×K | 737.78 | Joback Calculated Property |
| Cp,gas | 310.35 | J/mol×K | 781.71 | Joback Calculated Property |
| Cp,gas | 317.26 | J/mol×K | 825.63 | Joback Calculated Property |
| Cp,gas | 323.59 | J/mol×K | 869.55 | Joback Calculated Property |
| Cp,gas | 329.41 | J/mol×K | 913.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dichloro-«omega»-nitrostyrene.
Sources
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