- InChI
- InChI=1S/C18H16N2/c1-13-3-7-15(8-4-13)17-11-12-18(20-19-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3
- InChI Key
- WVNRHKLKGNMYAQ-UHFFFAOYSA-N
- Formula
- C18H16N2
- SMILES
-
Cc1ccc(-c2ccc(-c3ccc(C)cc3)nn2
)cc1 - Molecular Weight1
- 260.33
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5977 | Relay (1.0) Calculated Property | |
| ΔfG° | 428.04 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 351.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.427 | Crippen Calculated Property | |
| McVol | 213.160 | ml/mol | McGowan Calculated Property |
| Pc | 2759.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2939.00; 2939.00] |
|
|
| Inp | 2939.00 | NIST | |
| Inp | 2939.00 | NIST | |
| Tboil | 684.53 | K | Relay (1.0) Calculated Property |
| Tc | 944.04 | K | Relay (1.0) Calculated Property |
| Tfus | 392.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyridazine, 3,6-di(4-methylphenyl)-.
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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