- InChI
- InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
- InChI Key
- FDGQSTZJBFJUBT-UHFFFAOYSA-N
- Formula
- C5H4N4O
- SMILES
- Oc1ncnc2[nH]cnc12
- Molecular Weight1
- 136.11
- CAS
- 68-94-0
- Other Names
-
- 1,7-Dihydro-6H-purine-6-one
- 1,7-dihydro-6H-purin-6-one
- 3H-Purin-6-ol
- 6(1H)-Purinone
- 6-Hydroxy-1H-purine
- 6-Oxopurine
- 6-hydroxypurine
- 6H-Purin-6-one, 1,9-dihydro-
- 9H-Purin-6(1H)-one
- 9H-Purin-6-ol
- HX
- Hypoxanthine enol
- NSC 14665
- Purin-6-ol
- Purine-6-ol
- Sarcine
- Sarkin
- Sarkine
- hypoxanthine
- purin-6(1H)-one
- purin-6(3H)-one
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρs : Solid Density (kg/m3).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 912.30 | kJ/mol | NIST |
| BasG | 880.50 | kJ/mol | NIST |
| ΔcH°solid | -2428.50 ± 0.71 | kJ/mol | NIST |
| ΔfH°solid | -110.80 ± 0.75 | kJ/mol | NIST |
| IE | [8.55; 9.00] | eV |
|
| IE | 9.00 | eV | NIST |
| IE | 8.55 ± 0.03 | eV | NIST |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.423 | Crippen Calculated Property | |
| McVol | 88.180 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | 145.60 | J/mol×K | NIST |
| Tfus | 617.73 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 134.52 | J/mol×K | 298.50 | NIST |
| ΔsubH | 158.10 ± 1.60 | kJ/mol | 448.00 | NIST |
| ΔvapH | 160.30 | kJ/mol | 411.00 | Thermochemical Properties of Xanthine and Hypoxanthine Revisited |
| ρs | 1600.00 | kg/m3 | 298.15 | Saturation molalities and standard molar enthalpies of solution of cytidine(cr), hypoxanthine(cr), thymidine(cr), thymine(cr), uridine(cr), and xanthine(cr) in H2O(l) |
Similar Compounds
Find more compounds similar to 6H-Purin-6-one, 1,7-dihydro-.
Mixtures
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
- Saturation molalities and standard molar enthalpies of solution of cytidine(cr), hypoxanthine(cr), thymidine(cr), thymine(cr), uridine(cr), and xanthine(cr) in H2O(l)
- Thermochemical Properties of Xanthine and Hypoxanthine Revisited
- McGowan Method
- NIST Webbook
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