- InChI
- InChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3
- InChI Key
- LSBIUXKNVUBKRI-UHFFFAOYSA-N
- Formula
- C6H8N2
- SMILES
- Cc1cc(C)ncn1
- Molecular Weight1
- 108.14
- CAS
- 1558-17-4
- Other Names
-
- 4,6-Dimethylpyrimidine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3501 | Relay (1.0) Calculated Property | |
| PAff | 928.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 214.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 79.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 47.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.093 | Crippen Calculated Property | |
| McVol | 91.600 | ml/mol | McGowan Calculated Property |
| Pc | 5115.32 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1363.00; 1381.00] |
|
|
| I | 1363.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1363.00 | NIST | |
| Tboil | [427.20; 432.00] | K |
|
| Tboil | 427.20 | K | NIST |
| Tboil | 432.00 ± 6.00 | K | NIST |
| Tc | 654.90 | K | Relay (1.0) Calculated Property |
| Tfus | 319.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.335 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 432.70 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to Pyrimidine, 4,6-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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