- 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
- 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 | 0.5348 | Relay (1.0) Calculated Property | |
| ΔfG° | 267.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 183.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.447 | Crippen Calculated Property | |
| McVol | 121.570 | ml/mol | McGowan Calculated Property |
| Pc | 3690.97 | kPa | Joback Calculated Property |
| Tboil | 559.77 | K | Relay (1.0) Calculated Property |
| Tc | 849.62 | K | Relay (1.0) Calculated Property |
| Tfus | 432.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.01; 273.52] | J/mol×K | [650.65; 905.93] | 
|
| Cp,gas | 240.01 | J/mol×K | 650.65 | Joback Calculated Property |
| Cp,gas | 246.84 | J/mol×K | 693.20 | Joback Calculated Property |
| Cp,gas | 253.15 | J/mol×K | 735.74 | Joback Calculated Property |
| Cp,gas | 258.95 | J/mol×K | 778.29 | Joback Calculated Property |
| Cp,gas | 264.26 | J/mol×K | 820.84 | Joback Calculated Property |
| Cp,gas | 269.11 | J/mol×K | 863.39 | Joback Calculated Property |
| Cp,gas | 273.52 | J/mol×K | 905.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 4-amino-3,5-dichloro-.
Sources
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