- InChI
- InChI=1S/C6H8N2O/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
- InChI Key
- WHEQVHAIRSPYDK-UHFFFAOYSA-N
- Formula
- C6H8N2O
- SMILES
- Cc1cc(C)[nH]c(=O)n1
- Molecular Weight1
- 124.14
- CAS
- 108-79-2
- Other Names
-
- 4,6-Dimethyl-2-hydroxypyrimidine
- 2(1H)-Pyrimidinone, 4,6-dimethyl-
- 4,6-Dimethyl-2-pyrimidinol
- 4,6-dimethylpyrimidin-2-ol
- 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 | 0.4657 | Relay (1.0) Calculated Property | |
| ΔfG° | 41.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -171.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 80.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.095 | Crippen Calculated Property | |
| McVol | 97.470 | ml/mol | McGowan Calculated Property |
| Pc | 4902.97 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 540.15 | K | Relay (1.0) Calculated Property |
| Tc | 728.33 | K | Relay (1.0) Calculated Property |
| Tfus | 411.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-Dimethyl-2-pyrimidone.
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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