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. ​