- 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-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- 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).
- 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 | 0.5227 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3093.87 ± 0.29 | kJ/mol | NIST |
| EA | 0.04 ± 0.10 | eV | NIST |
| ΔfG° | 8.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| 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 |
| Pc | 4584.95 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 556.43 | K | Relay (1.0) Calculated Property |
| Tc | 741.13 | K | Relay (1.0) Calculated Property |
| Tfus | 392.50 ± 0.50 | K | NIST |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 1,3-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
- 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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