- InChI
- InChI=1S/C11H9ClN2S/c1-8-11(14-7-6-13-8)15-10-4-2-9(12)3-5-10/h2-7H,1H3
- InChI Key
- VWHRCENLDVGZPJ-UHFFFAOYSA-N
- Formula
- C11H9ClN2S
- SMILES
- Cc1nccnc1Sc1ccc(Cl)cc1
- Molecular Weight1
- 236.72
- CAS
- 116660-15-2
- 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 | 0.4143 | Relay (... Calculated Property | |
| ΔfG° | 283.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 232.23 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -3.47 | Relay (... Calculated Property | |
| logPoct/wat | 3.590 | Crippen Calculated Property | |
| McVol | 166.880 | ml/mol | McGowan Calculated Property |
| Pc | 3918.94 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 610.19 | K | Relay (... Calculated Property |
| Tc | 864.20 | K | Relay (... Calculated Property |
| Tfus | 343.73 | K | Relay (... Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-chlorophenyl mercapto)-3-methyl pyrazine.
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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