- InChI
- InChI=1S/C8H12N2O3/c1-9-4-6(5-13-3)7(11)10(2)8(9)12/h4H,5H2,1-3H3
- InChI Key
- KAOMKKGEAAIGEC-UHFFFAOYSA-N
- Formula
- C8H12N2O3
- SMILES
- COCc1cn(C)c(=O)n(C)c1=O
- Molecular Weight1
- 184.19
- CAS
- 14181-47-6
- Other Names
-
- 5-(Methoxymethyl)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
- 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 | 0.6181 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -453.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.770 | Crippen Calculated Property | |
| McVol | 137.390 | ml/mol | McGowan Calculated Property |
| Pc | 3137.68 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1634.00 | NIST | |
| Tboil | 574.37 | K | Relay (1.0) Calculated Property |
| Tc | 766.98 | K | Relay (1.0) Calculated Property |
| Tfus | 375.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Uracil, 5-(methoxymethyl)-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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