- InChI
- InChI=1S/C16H14N4O2/c1-11-15(19-8-6-17-11)21-13-4-3-5-14(10-13)22-16-12(2)18-7-9-20-16/h3-10H,1-2H3
- InChI Key
- DCROVDCZNCUJTR-UHFFFAOYSA-N
- Formula
- C16H14N4O2
- SMILES
- Cc1nccnc1Oc1cccc(Oc2nccnc2C)c1
- Molecular Weight1
- 294.31
- CAS
- 116659-49-5
- 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 | 0.7128 | Relay (... Calculated Property | |
| ΔfG° | 279.66 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 119.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.50 | kJ/mol | Relay (... Calculated Property |
| IE | 8.27 | eV | Relay (... Calculated Property |
| log10WS | -3.79 | Relay (... Calculated Property | |
| logPoct/wat | 3.468 | Crippen Calculated Property | |
| McVol | 216.680 | ml/mol | McGowan Calculated Property |
| Pc | 3825.22 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 646.80 | K | Relay (... Calculated Property |
| Tc | 980.16 | K | Relay (... Calculated Property |
| Tfus | 382.50 | K | Relay (... Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to M-phenylene bis-(2-3-methylpyrazyl) ether.
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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