- InChI
- InChI=1S/C6H6ClNO/c1-8-5(7)3-2-4-6(8)9/h2-4H,1H3
- InChI Key
- WTMIJNWKTCXRBK-UHFFFAOYSA-N
- Formula
- C6H6ClNO
- SMILES
- Cn1c(Cl)cccc1=O
- Molecular Weight1
- 143.57
- CAS
- 17228-63-6
- Other Names
-
- 1-Methyl-6-chloro-pyrid-2-one
- 6-Chloro-1-methyl-2(1H)pyridinone
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.4115 | Relay (1.0) Calculated Property | |
| PAff | 918.50 | kJ/mol | NIST |
| BasG | 885.50 | kJ/mol | NIST |
| ΔfG° | 44.75 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -147.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.039 | Crippen Calculated Property | |
| McVol | 99.730 | ml/mol | McGowan Calculated Property |
| Pc | 4650.55 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 529.46 | K | Relay (1.0) Calculated Property |
| Tc | 723.17 | K | Relay (1.0) Calculated Property |
| Tfus | 349.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![6H-Pyrido[2,1-b]quinazolin-6-one, 7,8,9,10-tetrahydro- 9-methyl.](data:image/png;base64,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)
Find more compounds similar to 2(1H)-Pyridinone, 6-chloro-1-methyl-.
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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