1,5-dimethylnaphthalene
structural formula
| business number | 05u4 |
|---|---|
| molecular formula | c12h12 |
| molecular weight | 156.22 |
| label |
aromatic compounds |
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
