- InChI
- InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
- InChI Key
- COFNCCWGWXFACE-UHFFFAOYSA-N
- Formula
- C7H4Cl2N2
- SMILES
- N#Cc1cc(Cl)c(N)c(Cl)c1
- Molecular Weight1
- 187.03
- CAS
- 78473-00-4
- Other Names
-
- 4-amino-3,5-dichlorobenzonitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 183.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.86 | kJ/mol | Joback Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.447 | Crippen Calculated Property | |
| McVol | 121.570 | ml/mol | McGowan Calculated Property |
| Tboil | 559.77 | K | Relay (1.0) Calculated Property |
| Tfus | 441.08 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.04; 273.55] | J/mol×K | [650.85; 906.21] | 
|
| Cp,gas | 240.04 | J/mol×K | 650.85 | Joback Calculated Property |
| Cp,gas | 246.87 | J/mol×K | 693.41 | Joback Calculated Property |
| Cp,gas | 253.18 | J/mol×K | 735.97 | Joback Calculated Property |
| Cp,gas | 258.98 | J/mol×K | 778.53 | Joback Calculated Property |
| Cp,gas | 264.29 | J/mol×K | 821.09 | Joback Calculated Property |
| Cp,gas | 269.14 | J/mol×K | 863.65 | Joback Calculated Property |
| Cp,gas | 273.55 | J/mol×K | 906.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 4-amino-3,5-dichloro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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