- InChI
- InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
- InChI Key
- QFDRTQONISXGJA-UHFFFAOYSA-N
- Formula
- C6H6N4O3
- SMILES
-
Cn1c(=O)[nH]c2[nH]c(=O)[nH]c2c
1=O - Molecular Weight1
- 182.14
- 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 | 0.6848 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -372.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Aq. Solubility Prediction | |
| logPoct/wat | -3.203 | Crippen Calculated Property | |
| McVol | 114.010 | ml/mol | McGowan Calculated Property |
| Pc | 5742.05 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 624.73 | K | Relay (1.0) Calculated Property |
| Tc | 985.81 | K | Relay (1.0) Calculated Property |
| Tfus | 624.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-methyluric acid.
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
- McGowan Method
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