1,4-dibutoxybenzene 1,4-dibutoxybenzene

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:104-36-9

mdl number:none

einecs number:203-196-8

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. characteristics: undetermined

2. density (g/ml, 20℃): undetermined

3. relative vapor density (g/ml, air=1 ): undetermined

4. melting point (ºc): 45

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

6. boiling point (ºc) , 15mmhg): 158

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º ): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg,ºc): undetermined

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

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 yet

ecological data

none yet

molecular structure data

1. molar refractive index: 67.40

2. molar volume (cm³/mol): 236.4

3. isotonic specific volume (90.2k ): 559.3

4. surface tension (dyne/cm): 31.2

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 26.72

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: 2

4. number of rotatable chemical bonds: 8

5. number of tautomers: none

6. topological molecule polar surface area 18.5

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 133

10. number of isotope atoms: 0

11. determine the atomsnumber of stereocenters: 0

12. number of uncertain atom stereocenters: 0

13. determined number of stereocenters of chemical bonds: 0

14 .the number of uncertain chemical bond stereocenters: 0

15. the number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet