- InChI
- InChI=1S/C7H5ClN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2
- InChI Key
- OREVCMGFYSUYPX-UHFFFAOYSA-N
- Formula
- C7H5ClN2
- SMILES
- N#Cc1ccc(N)c(Cl)c1
- Molecular Weight1
- 152.58
- CAS
- 21803-75-8
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 288.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 208.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.14 | Crippen Calculated Property | |
| logPoct/wat | 1.794 | Crippen Calculated Property | |
| McVol | 109.330 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 608.24 | K | Joback Calculated Property |
| Tc | 859.69 | K | Joback Calculated Property |
| Tfus | 398.28 | K | Joback Calculated Property |
| Vc | 0.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.84; 262.46] | J/mol×K | [608.24; 859.69] | 
|
| Cp,gas | 223.84 | J/mol×K | 608.24 | Joback Calculated Property |
| Cp,gas | 231.65 | J/mol×K | 650.15 | Joback Calculated Property |
| Cp,gas | 238.88 | J/mol×K | 692.06 | Joback Calculated Property |
| Cp,gas | 245.54 | J/mol×K | 733.97 | Joback Calculated Property |
| Cp,gas | 251.68 | J/mol×K | 775.87 | Joback Calculated Property |
| Cp,gas | 257.31 | J/mol×K | 817.78 | Joback Calculated Property |
| Cp,gas | 262.46 | J/mol×K | 859.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3-chlorobenzonitrile.
Sources
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