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
