- InChI
- InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)
- InChI Key
- HMLZLHKHNBLLJD-UHFFFAOYSA-N
- Formula
- C7H8N4O3
- SMILES
-
Cn1c(=O)[nH]c(=O)c2c1[nH]c(=O)
n2C - Molecular Weight1
- 196.16
- CAS
- 13087-49-5
- Other Names
-
- 7,9-Dihydro-3,7-dimethyl-1h-purine-2,6,8(3h)-trione
- 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 | 0.7095 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -387.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 115.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.710 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 4785.96 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 624.99 | K | Relay (1.0) Calculated Property |
| Tc | 953.79 | K | Relay (1.0) Calculated Property |
| Tfus | 619.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Uric acid, 3,7-dimethyl.
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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