1,5-dimethylnaphthalene

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:571-61-9

mdl number:mfcd00004038

einecs number:209-338-5

rtecs number:none

brn number:2039843

pubchem number:24855126

physical property data

1. physical property data

1. melting point (℃): 82.0

2. boiling point (ºc): 265-266

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 53.74

2. molar volume (cm³/mol): 156.0

3. isotonic specific volume (90.2k): 386.3

4. surface tension (dyne/cm): 37.5

5. polarizability (10^-24cm³): 21.30

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 132

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

stability and reactivity:

1. materials to avoid: oxides.

2. products to be decomposed: carbon monoxide and carbon dioxide.

3. exist in oriental tobacco leaves and smoke.

storage method

storage:

seal the container and store it in a sealed main container in a cool, dry place.

synthesis method

1. synthesis: extraction with pentane.

purpose

none yet