- InChI
- InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
- InChI Key
- JSDBKAHWADVXFU-UHFFFAOYSA-N
- Formula
- C6H8N2O2
- SMILES
- Cn1ccc(=O)n(C)c1=O
- Molecular Weight1
- 140.14
- CAS
- 874-14-6
- Other Names
-
- 1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione
- 1,3-dimethyluracil
- 2,4-Dihydroxy-1,3-dimethylpyrimidine
- N,N'-Dimethyluracil
- N1,N3-Dimethyluracil
- Uracil, 1,3-dimethyl-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Psub : Sublimation pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- ΔsubS : Entropy of sublimation at a given temperature (J/mol×K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3093.87 ± 0.29 | kJ/mol | NIST |
| EA | 0.04 ± 0.10 | eV | NIST |
| ΔfH°gas | -313.60 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -410.50 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | [92.00; 96.90] | kJ/mol |
|
| ΔsubH° | 96.90 ± 1.20 | kJ/mol | NIST |
| ΔsubH° | 96.40 ± 1.40 | kJ/mol | NIST |
| ΔsubH° | 92.00 | kJ/mol | NIST |
| ΔvapH° | 71.00 ± 3.00 | kJ/mol | NIST |
| IE | [8.80; 9.00] | eV |
|
| IE | 8.80 ± 0.10 | eV | NIST |
| IE | 9.00 | eV | NIST |
| log10WS | 1.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.916 | Crippen Calculated Property | |
| McVol | 103.340 | ml/mol | McGowan Calculated Property |
| Tfus | [392.50; 393.65] | K |
|
| Tfus | 393.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 392.50 ± 0.50 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
- Sublimation Enthalpies of 5-Haloderivatives of 1,3- Dimethyluracil
- McGowan Method
- NIST Webbook
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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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