Acenaphthylene CAS208-96-8

Details:

Density 1.2± 0.1g /cm3

Boiling point 298.9±7.0 °C at 760 mmHg

Melting point 78-82 °C(lit.)

Molecular formula C12H8

Molecular weight 152.192

Flash point 137.2±8.9 °C

Accurate mass 152.062607

LogP is 4.26

Appearance character yellow tablet

Vapor pressure 0.0±0.3 mmHg at 25°C

Refractive index 1.732

Storage condition

1. Seal and store. This product belongs to the Class II flammable solid, danger code No. 72011, stored in a cool and ventilated warehouse, the temperature does not exceed 30℃, away from heat source, fire, and separate from oxidizer and flammable materials.

2. Use asphalt sack or plastic bag, asphalt paper bag packaging. The net weight of each bag should not exceed 80kg. The packaging should be marked "flammable goods". Store and transport in accordance with flammable materials regulations.

stability

1. It is irritating to eyes, respiratory system and skin. Wear appropriate protective clothing in large quantities. In case of contact with eyes, rinse with plenty of water immediately and consult a doctor.

 

2. It exists in tobacco leaf and mainstream flue gas.

 

Water solubility: insoluble; Water solubility: 16.1mg /l 25 °C; Soluble in: ethyl ether, alcohol, benzene, toluene

Molecular structure

1. Molar refractive index: 51.26

 

2, molar volume (cm3/mol) : 128.1

 

3. Isotropic volume (90.2K) : 348.6

 

4. Surface tension (dyne/cm) : 54.7

 

5. Polarization (10-24cm3) : 20.32

 

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) :3.7

 

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 :12

 

8. Surface charge :0

 

9. Complexity :184

 

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