- InChI
- InChI=1S/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h1,7H,(H2,5,6,8,9,10)
- InChI Key
- BVEWMNTVZPFPQI-UHFFFAOYSA-N
- Formula
- C4H4N2O4
- SMILES
- O=C1NC(=O)C(O)C(=O)N1
- Molecular Weight1
- 144.09
- CAS
- 444-15-5
- Other Names
-
- 5-Hydroxy-2,4,6(1h,3h,5h)-pyrimidinetrione
- 5-hydroxybarbituric acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6896 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.287 | Crippen Calculated Property | |
| McVol | 86.900 | ml/mol | McGowan Calculated Property |
| Pc | 7561.44 | kPa | Joback Calculated Property |
| Tboil | 533.85 | K | Relay (1.0) Calculated Property |
| Tc | 873.04 | K | Relay (1.0) Calculated Property |
| Tfus | 506.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.46; 285.82] | J/mol×K | [703.21; 955.99] | 
|
| Cp,gas | 237.46 | J/mol×K | 703.21 | Joback Calculated Property |
| Cp,gas | 248.11 | J/mol×K | 745.34 | Joback Calculated Property |
| Cp,gas | 257.92 | J/mol×K | 787.47 | Joback Calculated Property |
| Cp,gas | 266.76 | J/mol×K | 829.60 | Joback Calculated Property |
| Cp,gas | 274.46 | J/mol×K | 871.73 | Joback Calculated Property |
| Cp,gas | 280.86 | J/mol×K | 913.86 | Joback Calculated Property |
| Cp,gas | 285.82 | J/mol×K | 955.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-hydroxy-.
Sources
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