- InChI
- InChI=1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
- InChI Key
- ABICJYZKIYUWEE-UHFFFAOYSA-N
- Formula
- C4H3N3O5
- SMILES
-
O=C1NC(=O)C([N+](=O)[O-])C(=O)
N1 - Molecular Weight1
- 173.08
- CAS
- 28176-10-5
- Other Names
-
- 5-nitrobarbituric acid
- 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).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔfG° | -149.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.81 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -679.90 | kJ/mol | NIST |
| ΔfusH° | 27.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.77 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Aq. Sol... | |
| logPoct/wat | -2.002 | Crippen Calculated Property | |
| McVol | 98.450 | ml/mol | McGowan Calculated Property |
| Pc | 6609.82 | kPa | Joback Calculated Property |
| Tboil | 762.87 | K | Joback Calculated Property |
| Tc | 1063.49 | K | Joback Calculated Property |
| Tfus | 453.65 | K | Aq. Sol... |
| Vc | 0.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.87; 318.25] | J/mol×K | [762.87; 1063.49] | 
|
| Cp,gas | 278.87 | J/mol×K | 762.87 | Joback Calculated Property |
| Cp,gas | 290.39 | J/mol×K | 812.97 | Joback Calculated Property |
| Cp,gas | 300.26 | J/mol×K | 863.08 | Joback Calculated Property |
| Cp,gas | 308.24 | J/mol×K | 913.18 | Joback Calculated Property |
| Cp,gas | 314.07 | J/mol×K | 963.28 | Joback Calculated Property |
| Cp,gas | 317.49 | J/mol×K | 1013.38 | Joback Calculated Property |
| Cp,gas | 318.25 | J/mol×K | 1063.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Barbituric acid, 5-nitro-.
Sources
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