- InChI
- InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)
- InChI Key
- TUARVSWVPPVUGS-UHFFFAOYSA-N
- Formula
- C4H3N3O4
- SMILES
-
O=c1[nH]cc([N+](=O)[O-])c(=O)[
nH]1 - Molecular Weight1
- 157.08
- CAS
- 611-08-5
- Other Names
-
- 5-Nitrouracil
- 2,4-Dihydroxy-5-nitropyrimidine
- Uracil, 5-nitro-
- 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 | 0.6337 | Relay (1.0) Calculated Property | |
| ΔfG° | 0.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -203.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.992 | Crippen Calculated Property | |
| McVol | 92.580 | ml/mol | McGowan Calculated Property |
| Pc | 5573.67 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 572.76 | K | Relay (1.0) Calculated Property |
| Tc | 863.77 | K | Relay (1.0) Calculated Property |
| Tfus | 506.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.322 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Acetic acid, [3-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)ureido]- ethyl ester.](data:image/png;base64,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)
Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 5-nitro-.
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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