- InChI
- InChI=1S/C9H7ClN2O2/c1-13-9-12-11-8(14-9)6-2-4-7(10)5-3-6/h2-5H,1H3
- InChI Key
- ZFMXLEKTIPSDTG-UHFFFAOYSA-N
- Formula
- C9H7ClN2O2
- SMILES
- COc1nnc(-c2ccc(Cl)cc2)o1
- Molecular Weight1
- 210.62
- CAS
- 82476-12-8
- 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 | 0.5097 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -72.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.399 | Crippen Calculated Property | |
| McVol | 138.390 | ml/mol | McGowan Calculated Property |
| Pc | 4119.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 553.31 | K | Relay (1.0) Calculated Property |
| Tc | 806.61 | K | Relay (1.0) Calculated Property |
| Tfus | 312.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4-Chlorophenyl)-5-methoxy-1,3,4-oxadiazole.
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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