hexamethylbenzene
Structural formula
| Business number | 01YM |
|---|---|
| Molecular formula | C12H18 |
| Molecular weight | 162.27 |
| label |
1,2,3,4,5,6-hexamethylbenzene, 1,2,3,4,5,6-Hexamethylbenzene, C6(CH3)6 |
Numbering system
CAS number:87-85-4
MDL number:MFCD00008523
EINECS number:201-777-0
RTECS number:DA3200000
BRN number:1905834
PubChem number:24874532
Physical property data
1. Properties: colorless flaky crystals.
2. Relative density (25℃, 4℃): 1.063024.5
3. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -6525.8
4. Melting point (ºC): 164℃ (165.5℃),
5. Boiling point (ºC, normal pressure): 264
6. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -7207.78
7. Gas phase standard claimed heat (enthalpy) (kJ·mol-1): -86.82
8. Gas phase standard entropy (J·mol-1·K-1): 468.6
9. Gas phase standard free energy of formation (kJ·mol-1): 144.37
10. Gas phase standard hot melt ( J·mol-1·K-1): 241.5
11. The liquid phase standard claims heat (enthalpy) (kJ·mol -1): -89.5
12. Liquid phase standard entropy (J·mol-1·K-1): 452.9
13. Liquid phase standard free energy of formation (kJ·mol-1): 101.35
14. Critical temperature (ºC): 484.85
15. Critical pressure (KPa): Undetermined
16. Liquid phase standard hot melt (J·mol-1·K-1): 286.4
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Easily soluble in ethanol and benzene, soluble in ether, acetone and acetic acid, insoluble in water.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 55.20
2. Molar volume (cm3/mol): 187.0
3. Isotonic specific volume (90.2K ): 433.1
4. Surface tension (dyne/cm): 28.7
5. Polarizability (10-24cm3): 21.88
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: None
6. Topological molecular polarity tableProduct 0
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 91.6
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be stored in a sealed, cool, dry place.
Synthesis method
It is produced by reacting phenol and methanol at 530°C under the catalysis of activated alumina. Dissolve phenol in methanol and add it dropwise to activated alumina at a temperature of 530°C (the granular catalyst is filled in a quartz tube and heated in a tube furnace). The gas generated by the reaction is cooled from the outlet of the reaction tube and collected at the receiving station. In the receiver, after the reaction is completed, the product in the receiver is filtered out, washed with methanol, and then reconstituted with ethanol to obtain hexamethylbenzene.
Purpose
Used in organic synthesis.