1,4-dimethylnaphthalene
structural formula
| business number | 05u2 |
|---|---|
| molecular formula | c12h12 |
| molecular weight | 156.22 |
| label |
aromatic compounds |
numbering system
cas number:571-58-4
mdl number:mfcd00004037
einecs number:209-335-9
rtecs number:none
brn number:2039842
pubchem number:24863584
physical property data
1. physical property data
1. density (g/ml, 25/4℃): 1.0166
2. refractive index (nd20 ): 1.6136
3. flash point (℃): >100
4. melting point (℃): 7.66
5. boiling point (ºc, 751 mmhg ): 267.3
6. relative density (20℃, 4℃): 1.0167
7. refractive index at room temperature (n25): 1.6114
p>
8. liquid phase standard hot melt (j·mol-1·k-1): 288.4
toxicological data
none
ecological data
none
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
1. exists in oriental tobacco leaves and smoke.
storage method
none
synthesis method
1. tobacco: or, 57.
purpose
none
