cumene hydroperoxide cumene hydroperoxide

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:80-15-9

mdl number:mfcd00002129

einecs number:201-254-7

rtecs number:mx2450000

brn number:1908117

pubchem number:24854872

physical property data

1. properties: colorless to light yellow liquid.

2. density (g/ml, 25/4℃): 1.0545

3. relative density (20℃, 4℃): 1.0592

4 . melting point (ºc): undetermined

5. boiling point (ºc): 116.5^15.5

6. boiling point (ºc, 13.33pa): 53

7. refractive index: 1.5242

8. flash point (ºc): 79.4

9. refractive index at room temperature (n²⁰ ): 1.5242

10. refractive index at room temperature (n²⁵): 1.5221

11. solubility parameter (j·cm^-3)^0.5: 21.497

12. van der waals area (cm²·mol^-1): 1.162×10¹⁰

13. van der waals volume (cm³·mol^-1): 88.250 p>

14. gas phase standard combustion heat (enthalpy) (kj·mol^-1): -5178.1

15. gas phase standard claimed heat (enthalpy) (kj· mol^-1): -78.4

16. liquid phase standard combustion heat (enthalpy) (kj·mol^-1): -5108.2

17. liquid phase standard claims heat (enthalpy) (kj·mol^-1): -148.3

18. liquid phase standard hot melt (j·mol ^-1·k^-1): 199.4

19. solubility: easily soluble in ethanol, acetone, esters, hydrocarbons and chlorinated hydrocarbons class, slightly soluble in water.

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 43.28

2. molar volume (cm³/mol): 143.4

3. isotonic specific volume (90.2k ): 351.9

4. surface tension (dyne/cm): 36.1

5. polarizability (10^-24cm³): 17.16

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.7

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 29.5

7.heavy atoms�mass: 11

8. surface charge: 0

9. complexity: 115

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be sealed and stored in a cool, dark place.

synthesis method

none yet

purpose

polymerization catalyst. preparation of acetone and phenol. ​