- InChI
- InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3
- InChI Key
- LRUUNMYPIBZBQH-UHFFFAOYSA-N
- Formula
- C9H6Cl2N2O3
- SMILES
-
Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c
1=O - Molecular Weight1
- 261.06
- CAS
- 20354-26-1
- Other Names
-
- 1,2,4-Oxadiazolidine-3,5-dione, 2-(3,4-dichlorophenyl)-4-methyl-
- 2-(3,4-Dichlorophenyl)-4-Methyl-1,2,4-oxadiazolidine-3,5-dione
- 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidinedione
- Bioxone
- Chlormethazole
- Metazol
- Metazole
- Mezopur
- Oxydiazol
- Paxilon
- Probe
- Probe 75
- Tunic
- VCS 438
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6578 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -329.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.82; -2.82] |
|
|
| log10WS | -2.82 | Aq. Solubility Prediction | |
| log10WS | -2.82 | Estimated Solubility | |
| logPoct/wat | 1.436 | Crippen Calculated Property | |
| McVol | 156.500 | ml/mol | McGowan Calculated Property |
| Pc | 3490.64 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 618.33 | K | Relay (1.0) Calculated Property |
| Tc | 908.25 | K | Relay (1.0) Calculated Property |
| Tfus | 397.03 ± 0.20 | K | NIST |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 29.50 | kJ/mol | 396.30 | NIST |
Similar Compounds
Find more compounds similar to Methazole.
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
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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