- InChI
- InChI=1S/C6H8N2O2/c1-4-3-5(9)8(2)6(10)7-4/h3H,1-2H3,(H,7,10)
- InChI Key
- CFADSIBRSRZBQO-UHFFFAOYSA-N
- Formula
- C6H8N2O2
- SMILES
- Cc1cc(=O)n(C)c(=O)[nH]1
- Molecular Weight1
- 140.14
- CAS
- 19674-60-3
- Other Names
-
- Uracil, 3,6-dimethyl-
- 3,6-Dimethyl-2,4(1H,3H)-pyrimidinedione
- 3,6-Dimethyluracil
- 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 | 0.5338 | Relay (... Calculated Property | |
| ΔfG° | -32.11 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -328.85 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.40 | kJ/mol | Relay (... Calculated Property |
| IE | 8.53 | eV | Relay (... Calculated Property |
| log10WS | 0.38 | Relay (... Calculated Property | |
| logPoct/wat | -1.100 | Crippen Calculated Property | |
| McVol | 103.340 | ml/mol | McGowan Calculated Property |
| Pc | 4911.42 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 562.68 | K | Relay (... Calculated Property |
| Tc | 765.52 | K | Relay (... Calculated Property |
| Tfus | 454.52 | K | Relay (... Calculated Property |
| Vc | 0.385 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 3,6-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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