- InChI
- InChI=1S/C3H3N3O2/c7-2-4-1-5-3(8)6-2/h1H,(H2,4,5,6,7,8)
- InChI Key
- GEWRKGDRYZIFNP-UHFFFAOYSA-N
- Formula
- C3H3N3O2
- SMILES
- O=c1nc[nH]c(=O)[nH]1
- Molecular Weight1
- 113.07
- CAS
- 71-33-0
- Other Names
-
- 5-Azauracil
- s-Triazine-2,4(1H,3H)-dione
- Allantoxaidin
- Allantoxaidine
- Oxaidin
- 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 | 0.5037 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -289.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.10; 10.59] | eV |
|
| IE | 10.10 | eV | NIST |
| IE | 10.59 | eV | NIST |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.506 | Crippen Calculated Property | |
| McVol | 71.050 | ml/mol | McGowan Calculated Property |
| Pc | 6305.58 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 581.71 | K | Relay (1.0) Calculated Property |
| Tc | 792.57 | K | Relay (1.0) Calculated Property |
| Tfus | 513.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.253 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triazine-2,4(1H,3H)-dione.
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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