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