- InChI
- InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
- InChI Key
- BYXCFUMGEBZDDI-UHFFFAOYSA-N
- Formula
- C8H10N4O3
- SMILES
-
Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c
1=O - Molecular Weight1
- 210.19
- CAS
- 5415-44-1
- Other Names
-
- 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-trimethyl-
- Ba 2753
- Uric acid, 1,3,7-trimethyl-
- 7,9-dihydro-1,3,7-trimethyl-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 | 0.7213 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -401.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | -2.218 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 3901.72 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 616.41 | K | Relay (1.0) Calculated Property |
| Tc | 939.13 | K | Relay (1.0) Calculated Property |
| Tfus | 591.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,7-Trimethyluric acid.
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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