- InChI
- InChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
- InChI Key
- DCJKUXYSYJBBRD-UHFFFAOYSA-N
- Formula
- C14H10N2O
- SMILES
- c1ccc(-c2nnc(-c3ccccc3)o2)cc1
- Molecular Weight1
- 222.24
- CAS
- 725-12-2
- Other Names
-
- 2,5-Diphenyloxadiazole
- 2,5-Diphenyl-1,3,4-oxadiazole
- PPD
- PPD (Scintillator)
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- 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 | 0.5201 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-7103.60; -7014.00] | kJ/mol |
|
| ΔcH°solid | -7014.00 ± 4.00 | kJ/mol | NIST |
| ΔcH°solid | -7103.60 ± 8.40 | kJ/mol | NIST |
| ΔfG° | 359.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 260.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 75.70 | kJ/mol | NIST |
| ΔvapH° | 100.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 ± 0.30 | eV | NIST |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.404 | Crippen Calculated Property | |
| McVol | 166.970 | ml/mol | McGowan Calculated Property |
| Pc | 4155.04 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 618.73 | K | Relay (1.0) Calculated Property |
| Tc | 909.24 | K | Relay (1.0) Calculated Property |
| Tfus | 358.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.661 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 504.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 1,3,4-Oxadiazole, 2,5-diphenyl-.
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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