- InChI
- InChI=1S/C16H10N2O3/c19-15(11-7-3-1-4-8-11)13-14(18-21-17-13)16(20)12-9-5-2-6-10-12/h1-10H
- InChI Key
- NPRKTQDWJWXWET-UHFFFAOYSA-N
- Formula
- C16H10N2O3
- SMILES
-
O=C(c1ccccc1)c1nonc1C(=O)c1ccc
cc1 - Molecular Weight1
- 278.27
- Other Names
-
- 3,4-Dibenzoyl-1,2,5-oxadiazole
- 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).
- 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 | 0.7149 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7829.50 ± 9.20 | kJ/mol | NIST |
| ΔfG° | 219.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 135.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.532 | Crippen Calculated Property | |
| McVol | 198.290 | ml/mol | McGowan Calculated Property |
| Pc | 3220.92 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 660.32 | K | Relay (1.0) Calculated Property |
| Tc | 987.64 | K | Relay (1.0) Calculated Property |
| Tfus | 452.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.764 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Furazan, dibenzoyl-.
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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