1,3,5-triethylbenzene 1,3,5-triethylbenzene

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:102-25-0

mdl number:mfcd00009261

einecs number:203-017-3

rtecs number:none

brn number:2039481

pubchem number:24889359

physical property data

1. properties: colorless liquid.

2. density (g/ml, 25℃): 0.862

3. liquid phase standard hot melt (j·mol^-1·k^-1): 286.4

4. melting point (ºc): -66

5. boiling point (ºc, normal pressure): 215

6. boiling point (ºc, kpa): undetermined

7. refractive index: 1.495

8. solubility parameter (j·cm^-3)^0.5: 17.408

9. van der waals area (cm²·mol^-1): 1.483× 10¹⁰

10. van der waals volume (cm³·mol^-1): 104.460

11. vapor pressure (mmhg, 25ºc): undetermined

12. saturation vapor pressure (kpa, ºc): undetermined

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

14. critical temperature (k): 3405.85

15. critical density (g·cm^-3): 0.26

16. critical volume (cm³·mol^-1): 624

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

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

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 54.90

2. molar volume (cm³/mol): 187.8

3. isotonic specific volume (90.2k ): 437.0

4. surface tension (dyne/cm): 29.2

5. dielectric constant: 2.34

6. dipole moment (10^-24cm³):

7. polarizability: 21.76

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 4.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 81.4

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 andstability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet