Dibenzo[b,def]chrysene CAS189-64-0

Details:

Density 1.3± 0.1g /cm3
Boiling point 552.3±17.0 °C at 760 mmHg
Melting point 308 °C
Molecular formula C24H14
Molecular weight 302.368
Flash point 282.0±15.1 °C
Accurate mass 302.109558
LogP 7.63
Appearance character solid; Light yellow to Amber to Dark green powder to crystal
Vapor pressure 0.0±0.7 mmHg at 25°C
Refractive index 1.913
Storage condition
Store at 2-8°C

stability
1. It exists in smoke.

2. Carcinogenicity assessment of IARC: sufficient evidence.

Water soluble in: sulfuric acid, dioxane
Molecular structure
1. Molar refractive index: 108.14

2, molar volume (cm3/mol) : 230.2

3. Isotropic volume (90.2K) : 657.3

4. Surface tension (dyne/cm) : 66.4

5, dielectric constant: no use

6, dipole distance (10-24cm3) : No use

7. Polarization: 42.87

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) :7

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :0

4. Number of rotatable bonds :0

5. Number of tautomers: None

6. Topological molecular polar surface area is 0

7. Number of heavy atoms :24

8. Surface charge :0

9. Complexity :436

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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