- InChI
- InChI=1S/C10H16N2O3/c1-5-10(6-2)7(13)11(3)9(15)12(4)8(10)14/h5-6H2,1-4H3
- InChI Key
- RGLAXEITJXZVAN-UHFFFAOYSA-N
- Formula
- C10H16N2O3
- SMILES
- CCC1(CC)C(=O)N(C)C(=O)N(C)C1=O
- Molecular Weight1
- 212.25
- CAS
- 714-59-0
- Other Names
-
- Barbituric acid, 5,5-diethyl-1,3-dimethyl-
- N,N'-Dimethylbarbital
- 1,3-Dimethyl-5,5-diethylbarbituric acid
- 1,3-Dimethylbarbital
- 5,5-Diethyl-1,3-dimethylbarbituric acid
- Dimethylbarbital
- Dimethylveronal
- Metharbitone-permethylated
- 1,3-Dimethyl derivative of barbital
- Barbitone-permethylated
- Barbital permethylated
- Metharbital permethylated
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5603 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -567.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.843 | Crippen Calculated Property | |
| McVol | 165.570 | ml/mol | McGowan Calculated Property |
| Pc | 2408.65 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1412.00; 1415.00] |
|
|
| Inp | 1412.00 | NIST | |
| Inp | 1412.00 | NIST | |
| Inp | 1415.00 | NIST | |
| Tboil | 538.39 | K | Relay (1.0) Calculated Property |
| Tc | 788.31 | K | Relay (1.0) Calculated Property |
| Tfus | 393.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.595 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-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
- McGowan Method
- NIST Webbook
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