System: 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
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| 1) 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione | |
|---|---|
| DECHEMA ID | 32426 |
| Formula | C8H10N4O2 |
| Synonym | caffeine |
| Synonym | theine |
| Synonym | guaranine |
| Synonym | coffeine |
| Synonym | 7-Methyltheophylline |
| Synonym | 1,3,7-trimethylxanthine |
| Synonym | 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine |
| Synonym | 1,3,7-trimethyl-2,6-dioxopurine |
| Synonym | 1h-purine-2,6-dione |
| Synonym | 1-methyltheobromine |
| Synonym | 3,7-dihydro-1,3,7-trimethyl- |
| Synonym | Coffein |
| Synonym | Methyltheobromide |
| Synonym | 1,3,7-trimethylpurine-2,6-dione |
| Synonym | 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione |
| Synonym | 1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione |
| InChi-Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Registry No. | 58-08-2 |
Available physical property data:
| Property | Phase | No. of tables | No. of lines | Data |
|---|---|---|---|---|
| acentric factor Omega | - | 1 | 1 | View |
| critical pressure | - | 1 | 1 | View |
| critical temperature | - | 1 | 1 | View |
| density | solid | 1 | 3 | View |
| enthalpy of combustion | solid(1) | 1 | 1 | View |
| enthalpy of combustion | solid | 3 | 3 | View |
| enthalpy of formation | gas | 2 | 2 | View |
| enthalpy of formation | solid(1) | 1 | 1 | View |
| enthalpy of formation | solid | 3 | 3 | View |
| enthalpy of fusion | - | 25 | 27 | View |
| enthalpy of phase transition | solid | 1 | 1 | View |
| enthalpy of phase transition | - | 17 | 17 | View |
| enthalpy of sublimation | - | 13 | 29 | View |
| enthalpy of vaporization | - | 1 | 1 | View |
| entropy of fusion | - | 5 | 5 | View |
| entropy of phase transition | - | 3 | 3 | View |
| freezing temperature | - | 1 | 1 | View |
| fusion pressure | - | 4 | 7 | View |
| fusion temperature | - | 40 | 52 | View |
| heat capacity (cp) | solid | 3 | 235 | View |
| melting point | - | 6 | 6 | View |
| octanol/water partition coefficient | - | 13 | 15 | View |
| phase transition pressure | - | 1 | 12 | View |
| pressure of sublimation | - | 7 | 114 | View |
| sublimation temperature | - | 15 | 109 | View |
| temperature of phase transition | solid | 1 | 1 | View |
| temperature of phase transition | - | 11 | 22 | View |
| vapor pressure | - | 4 | 30 | View |
| volume | solid | 1 | 3 | View |