Cumene Hydroperoxide Cumene Hydroperoxide
Structural formula
| Business number | 01QP |
|---|---|
| Molecular formula | C9H12O2 |
| Molecular weight | 152.19 |
| label |
α,α-dimethylbenzylhydrogen, α,α-Dimethylbenzyl hydroperoxide |
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): 116.515.5
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.
