- InChI
- InChI=1S/C7H8N4/c1-5-3-6(2)11-7(10-5)9-4-8/h3H,1-2H3,(H,9,10,11)
- InChI Key
- IOQKVEQARXJQKM-UHFFFAOYSA-N
- Formula
- C7H8N4
- SMILES
- Cc1cc(C)nc(NC#N)n1
- Molecular Weight1
- 148.17
- CAS
- 55474-90-3
- Other Names
-
- (4,6-dimethylpyrimidin-2-yl)cyanamide
- 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 | 0.5378 | Relay (... Calculated Property | |
| ΔfG° | 376.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 194.73 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 85.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.47 | eV | Relay (... Calculated Property |
| log10WS | -1.59 | Relay (... Calculated Property | |
| logPoct/wat | 0.986 | Crippen Calculated Property | |
| McVol | 117.050 | ml/mol | McGowan Calculated Property |
| Pc | 4678.92 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 541.95 | K | Relay (... Calculated Property |
| Tc | 797.17 | K | Relay (... Calculated Property |
| Tfus | 453.30 | K | Relay (... Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pyrimidinecarbamonitrile, 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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