1,4-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:571-58-4

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