- InChI
- InChI=1S/C18H12N2O/c1-2-8-14(9-3-1)17-19-20-18(21-17)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
- InChI Key
- PNPLRTWSLDSFET-UHFFFAOYSA-N
- Formula
- C18H12N2O
- SMILES
-
c1ccc(-c2nnc(-c3cccc4ccccc34)o
2)cc1 - Molecular Weight1
- 272.30
- CAS
- 897-18-7
- Other Names
-
- «alpha»-NPD
- 1,3,4-Oxadiazole, 2-(1-naphthalenyl)-5-phenyl-
- 1,3,4-Oxadiazole, 2-(1-naphthyl)-5-phenyl-
- 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 | 0.6008 | Relay (1.0) Calculated Property | |
| ΔfG° | 437.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 326.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.557 | Crippen Calculated Property | |
| McVol | 203.870 | ml/mol | McGowan Calculated Property |
| Pc | 3420.36 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 695.44 | K | Relay (1.0) Calculated Property |
| Tc | 1031.55 | K | Relay (1.0) Calculated Property |
| Tfus | 372.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.798 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(1-Naphthyl)-5-phenyl-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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