- InChI
- InChI=1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3
- InChI Key
- NNBALVIZMGWZHS-UHFFFAOYSA-N
- Formula
- C6H7ClN2
- SMILES
- Cc1cnc(C)c(Cl)n1
- Molecular Weight1
- 142.59
- CAS
- 95-89-6
- Other Names
-
- Pyrazine, 3-chloro-2,5-dimethyl-
- 2-Chloro-3,6-dimethylpyrazine
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3734 | Relay (... Calculated Property | |
| ΔfG° | 182.55 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 62.59 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 51.00 | kJ/mol | Relay (... Calculated Property |
| IE | 9.01 | eV | Relay (... Calculated Property |
| log10WS | -0.78 | Relay (... Calculated Property | |
| logPoct/wat | 1.747 | Crippen Calculated Property | |
| McVol | 103.840 | ml/mol | McGowan Calculated Property |
| Pc | 4549.32 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1128.00 | NIST | |
| Tboil | 466.27 | K | Relay (... Calculated Property |
| Tc | 705.07 | K | Relay (... Calculated Property |
| Tfus | 335.53 | K | Relay (... Calculated Property |
| Vc | 0.389 | m3/kmol | Relay (... Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 340.70 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Chloro-2,5-dimethylpyrazine.
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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