- InChI
- InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
- InChI Key
- MWVTWFVJZLCBMC-UHFFFAOYSA-N
- Formula
- C10H8N2
- SMILES
- c1cc(-c2ccncc2)ccn1
- Molecular Weight1
- 156.18
- CAS
- 553-26-4
- Other Names
-
- .gamma.,.gamma.'-bipyridyl
- .gamma.,.gamma.'-dipyridyl
- 4,4'-Dipyridine
- 4,4'-bipyridyl
- 4,4'-dipyridyl
- 4,4-Bipyridine
- 4,4-Bipyridyl
- 4,4-dipyridyl
- 4,4´-bipyridine
- 4-(4-Pyridyl)pyridine
- Bipyridine, 4,4'-
- NSC 404423
- «gamma»,«gamma»'-Bipyridyl
- «gamma»,«gamma»'-Dipyridyl
- ω : Acentric Factor.
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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.
- Ip : 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3899 | Relay (1.0) Calculated Property | |
| BasG | 900.00 ± 10.00 | kJ/mol | NIST |
| ΔcH°solid | -5265.20 ± 1.80 | kJ/mol | NIST |
| ΔfH°gas | 293.10 ± 3.60 | kJ/mol | NIST |
| ΔfH°solid | 186.80 ± 2.20 | kJ/mol | NIST |
| ΔfusH° | 16.10 | kJ/mol | Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds |
| ΔsubH° | [106.30; 106.30] | kJ/mol |
|
| ΔsubH° | 106.30 ± 2.80 | kJ/mol | NIST |
| ΔsubH° | 106.30 | kJ/mol | NIST |
| ΔsubH° | 106.30 ± 2.80 | kJ/mol | NIST |
| ΔvapH° | 71.10 ± 2.60 | kJ/mol | NIST |
| IE | 9.10 ± 0.02 | eV | NIST |
| log10WS | -1.54 | Aq. Solubility Prediction | |
| logPoct/wat | 2.144 | Crippen Calculated Property | |
| McVol | 124.200 | ml/mol | McGowan Calculated Property |
| Pc | 4762.83 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1507.00; 1507.00] |
|
|
| Inp | 1507.00 | NIST | |
| Inp | 1507.00 | NIST | |
| Ip | 2453.00 | NIST | |
| Tboil | [578.00; 578.20] | K |
|
| Tboil | 578.20 | K | NIST |
| Tboil | 578.00 | K | NIST |
| Tc | 814.62 | K | Relay (1.0) Calculated Property |
| Tfus | 385.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 16.10 | kJ/mol | 377.50 | NIST |
Similar Compounds
Find more compounds similar to 4,4'-Bipyridine.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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