dodecylbenzene decyl-benzen

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:104-72-3

mdl number:mfcd00008955

einecs number:203-230-1

rtecs number:none

brn number:1907745

pubchem number:24887292

physical property data

1. liquid phase standard hot melt (j·mol^-1·k^-1): 457.5

2. density (g/ ml, 25℃): 0.856

3. relative density (20℃, 4℃): 0.85553

4. melting point (ºc): -14.4

5. boiling point (ºc, normal pressure): 293

6. relative density (25℃, 4℃): 0.85198

7. refractive index: 1.482

8. the refractive index at room temperature (n²⁰): 1.4832

9. the refractive index at room temperature (n²⁵): 1.4811

10. solubility parameter (j·cm^-3)^0.5: 17.066

11. van der waals area (cm²·mol^-1): 1.950×10¹⁰

12. van der waals volume (cm³ ·mol^-1): 150.800

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: undetermined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 72.86

2. molar volume (cm³/mol): 254.3

3. isotonic specific volume (90.2k ): 602.1

4. surface tension (dyne/cm): 31.4

5. dielectric constant: 2.27

6. dipole moment (10^-24cm³):

7. polarizability: 28.88

compute chemical data

1. calculation of hydrophobic parameterstest value (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 9

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms :16

8. surface charge: 0

9. complexity: 133

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

none

storage method

none

synthesis method

none

purpose

none