tridecylbenzene tridecylbenzene

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:123-02-4

mdl number:mfcd00008980

einecs number:204-592-3

rtecs number:none

brn number:1947201

pubchem number:24889500

physical property data

1. melting point (ºc): 10

2. boiling point (ºc): 341.3

3. relative density (20℃, 4℃): 0.8550

4. relative density (25℃, 4℃): 0.8514

5. refractive index at room temperature (n²⁰): 1.4821

6. refractive index at room temperature (n²⁵): 1.4800^s

toxicological data

none yet

ecological data

none yet

molecular structure data

1 , molar refractive index: 86.76

2, molar volume (cm³/mol): 303.8

3, isotonic specific volume (90.2k): 721.5

4. surface tension (dyne/cm): 31.6

5. dielectric constant (f/m): 2.25

6. polarizability (10 ^-24cm³): 34.39

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: 12

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 167

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

storage method

none yet

synthesis method

none yet

purpose

none yet