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