- InChI
- InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
- InChI Key
- YSBNBAYNISAUIT-UHFFFAOYSA-N
- Formula
- C7H5ClN2
- SMILES
- Cc1ccc(C#N)c(Cl)n1
- Molecular Weight1
- 152.58
- CAS
- 28900-10-9
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4249 | Relay (1.0) Calculated Property | |
| ΔfG° | 257.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 161.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.915 | Crippen Calculated Property | |
| McVol | 109.330 | ml/mol | McGowan Calculated Property |
| Pc | 3976.48 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 515.81 | K | Relay (1.0) Calculated Property |
| Tc | 761.50 | K | Relay (1.0) Calculated Property |
| Tfus | 384.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-3-cyano-6-methylpyridine.
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
- McGowan Method
- NIST Webbook
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