1,2,3,4-tetramethylbenzene

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:488-23-3

mdl number:mfcd00008521

einecs number:202-465-7

rtecs number:dc0465000

brn number:1904390

pubchem id:none

physical property data

1. gas phase standard combustion heat (enthalpy) (kj·mol^-1): -5900.61

2. density (g/ m³,25/4℃): 0.838

3. relative vapor density (g/cm³, air=1): 4.6

4. melting point (ºc): 76-80

5. boiling point (ºc, normal pressure): 203

6. gas phase standard claims heat (enthalpy) (kj·mol^-1 ): -35.31

7. refractive index: 1.5190

8. flash point (ºf): 165

9. gas phase standard entropy ( j·mol^-1·k^-1): 421.6

10. gas phase standard free energy of formation (kj·mol^-1): 128.61

11. vapor pressure (kpa, 25ºc): 160

12. vapor phase standard hot melt (j·mol^-1 ·k^-1): 186.1

13. heat of combustion (kj/mol): 49.7

14. liquid phase standard heat of combustion (enthalpy) ( kj·mol^-1): -5845.72

15. the liquid phase standard claims heat (enthalpy) (kj·mol^-1): -90.21

16. log value of oil-water (octanol/water) partition coefficient: 1.34

17. liquid phase standard entropy (j·mol^-1· k^-1): 290.58

18. liquid phase standard free energy of formation (kj·mol^-1): 112.77

19. solubility: slightly soluble in water

20. liquid phase standard hot melt (j·mol^-1·k^-1): 238.32

toxicological data

1. skin/eye irritation data: standard draize test rabbit direct contact with skin: 100 mg/24 hreaction severity: mild

2. acute toxicity: rat oral ld50: 6408mg/kg, feeling organs and special senses (eyes) – tears, lungs, chest or breathing – difficulty breathing, blood – cerebral hemorrhage;

ecological data

this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 45.55

2. molar volume (cm³/mol): 154.5

3. isotonic specific volume (90.2k ): 357.8

4. surface tension (dyne/cm): 28.7

5. polarizability (10^-24cm³): 18.05

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 4

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:

6. topological molecular polar surface area (tpsa): 0

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 92.6

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the stereocenter of chemical bonds number: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

seal and store in a ventilated, dry environment

synthesis method

none yet

purpose

none yet

resource:allhdi.com