- InChI
- InChI=1S/C16H14N2O3/c1-19-13-7-3-5-11(9-13)15-17-18-16(21-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
- InChI Key
- VTFRIPCUJGVYKU-UHFFFAOYSA-N
- Formula
- C16H14N2O3
- SMILES
-
COc1cccc(-c2nnc(-c3cccc(OC)c3)
o2)c1 - Molecular Weight1
- 282.29
- CAS
- 19748-58-4
- Other Names
-
- 1,3,4-Oxadiazole, 2,5-bis(3-methoxyphenyl)-
- 2,5-bis(3-methoxyphenyl)-1,3,4-oxadiazole
- 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 | 0.7185 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -24.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.421 | Crippen Calculated Property | |
| McVol | 206.890 | ml/mol | McGowan Calculated Property |
| Pc | 2790.26 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 672.11 | K | Relay (1.0) Calculated Property |
| Tc | 946.14 | K | Relay (1.0) Calculated Property |
| Tfus | 361.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.807 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-di-(3-Methoxyphenyl)-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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