- InChI
- InChI=1S/C8H6N4/c1-7(2-10-5-9-1)8-3-11-6-12-4-8/h1-6H
- InChI Key
- NYRJZUWFXMJYAP-UHFFFAOYSA-N
- Formula
- C8H6N4
- SMILES
- c1ncc(-c2cncnc2)cn1
- Molecular Weight1
- 158.16
- CAS
- 56598-46-0
- 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 | 0.4307 | Relay (1.0) Calculated Property | |
| ΔfG° | 399.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 372.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.00; 9.68] | eV |
|
| IE | 9.00 | eV | NIST |
| IE | 9.68 | eV | NIST |
| log10WS | -1.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.934 | Crippen Calculated Property | |
| McVol | 115.980 | ml/mol | McGowan Calculated Property |
| Pc | 5964.15 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 570.44 | K | Relay (1.0) Calculated Property |
| Tc | 855.70 | K | Relay (1.0) Calculated Property |
| Tfus | 447.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5,5'-Bipyrimidine.
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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