- InChI
- InChI=1S/C5H6N2/c1-5-2-6-4-7-3-5/h2-4H,1H3
- InChI Key
- TWGNOYAGHYUFFR-UHFFFAOYSA-N
- Formula
- C5H6N2
- SMILES
- Cc1cncnc1
- Molecular Weight1
- 94.11
- CAS
- 2036-41-1
- Other Names
-
- 5-Methylpyrimidine
- 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 | 0.3115 | Relay (1.0) Calculated Property | |
| ΔfG° | 232.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 146.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 46.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.785 | Crippen Calculated Property | |
| McVol | 77.510 | ml/mol | McGowan Calculated Property |
| Pc | 5691.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [864.00; 864.00] |
|
|
| Inp | 864.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 864.00 | NIST | |
| Tboil | 427.91 | K | Relay (1.0) Calculated Property |
| Tc | 658.50 | K | Relay (1.0) Calculated Property |
| Tfus | 302.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.269 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 5-methyl-.
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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