- InChI
- InChI=1S/C6H6N2O3/c1-3(9)4-5(10)7-2-8-6(4)11/h2H,1H3,(H2,7,8,10,11)
- InChI Key
- PYJZBCIQPVBBPY-UHFFFAOYSA-N
- Formula
- C6H6N2O3
- SMILES
- CC(=O)c1c(O)nc[nH]c1=O
- Molecular Weight1
- 154.12
- CAS
- 98792-81-5
- Other Names
-
- 6-Hydroxy-5-acetyl-4-oxo-1,6-dihydropyrimidine
- 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 | 0.6658 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -450.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.804 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 5846.81 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 563.98 | K | Relay (1.0) Calculated Property |
| Tc | 859.37 | K | Relay (1.0) Calculated Property |
| Tfus | 515.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.372 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 6-oxo-5-acetyl-4-hydroxy-1,6-dihydro-.
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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