- InChI
- InChI=1S/C8H6ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
- InChI Key
- HFBZPKYQUFLCEL-UHFFFAOYSA-N
- Formula
- C8H6ClN
- SMILES
- Cc1ccc(Cl)cc1C#N
- Molecular Weight1
- 151.59
- CAS
- 50712-70-4
- 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 | 0.4165 | Relay (1.0) Calculated Property | |
| ΔfG° | 230.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 138.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 113.440 | ml/mol | McGowan Calculated Property |
| Pc | 3276.53 | kPa | Joback Calculated Property |
| Tboil | 515.17 | K | Relay (1.0) Calculated Property |
| Tc | 755.00 | K | Relay (1.0) Calculated Property |
| Tfus | 341.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.61; 267.08] | J/mol×K | [558.59; 797.23] | 
|
| Cp,gas | 221.61 | J/mol×K | 558.59 | Joback Calculated Property |
| Cp,gas | 230.58 | J/mol×K | 598.36 | Joback Calculated Property |
| Cp,gas | 238.96 | J/mol×K | 638.14 | Joback Calculated Property |
| Cp,gas | 246.78 | J/mol×K | 677.91 | Joback Calculated Property |
| Cp,gas | 254.06 | J/mol×K | 717.68 | Joback Calculated Property |
| Cp,gas | 260.81 | J/mol×K | 757.46 | Joback Calculated Property |
| Cp,gas | 267.08 | J/mol×K | 797.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-2-methylbenzonitrile.
Sources
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