- InChI
- InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
- InChI Key
- LVILGAOSPDLNRM-UHFFFAOYSA-N
- Formula
- C5H6N2
- SMILES
- Cc1ccncn1
- Molecular Weight1
- 94.11
- CAS
- 3438-46-8
- Other Names
-
- 4-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.
- I : 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 | 0.2988 | Relay (... Calculated Property | |
| ΔfG° | 226.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 136.65 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 44.20 ± 2.40 | kJ/mol | NIST |
| IE | 9.62 | eV | Relay (... Calculated Property |
| log10WS | 1.09 | Relay (... Calculated Property | |
| logPoct/wat | 0.785 | Crippen Calculated Property | |
| McVol | 77.510 | ml/mol | McGowan Calculated Property |
| Pc | 5609.04 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [819.00; 853.00] |
|
|
| Inp | 827.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 853.00 | NIST | |
| I | 1328.00 | NIST | |
| Tboil | 415.20 | K | NIST |
| Tc | 654.69 | K | Relay (... Calculated Property |
| Tfus | 287.54 | K | Relay (... Calculated Property |
| Vc | 0.275 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrimidine, 4-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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