- InChI
- InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
- InChI Key
- CPNGPNLZQNNVQM-UHFFFAOYSA-N
- Formula
- C6H4N4
- SMILES
- c1cnc2ncncc2n1
- Molecular Weight1
- 132.13
- 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 | 0.4133 | Relay (1.0) Calculated Property | |
| ΔfG° | 344.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 344.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | [0.02; 0.02] |
|
|
| log10WS | 0.02 | Aq. Solubility Prediction | |
| log10WS | 0.02 | Estimated Solubility | |
| logPoct/wat | 0.420 | Crippen Calculated Property | |
| McVol | 92.100 | ml/mol | McGowan Calculated Property |
| Pc | 6502.13 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 512.08 | K | Relay (1.0) Calculated Property |
| Tc | 846.95 | K | Relay (1.0) Calculated Property |
| Tfus | 412.65 | K | Aq. Solubility Prediction |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pteridine.
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
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
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