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