1,4-diethoxybenzene 1,4-diethoxybenzene

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:122-95-2

mdl number:mfcd00015146

einecs number:204-585-5

rtecs number:none

brn number:none

pubchem number:24878716

physical property data

1. melting point (℃): 72

2. boiling point (ºc): 246

3. solubility: insoluble in water

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 48.87

2. molar volume (cm³/mol): 170.4

3. isotonic specific volume (90.2k): 400.1

4. surface tension (dyne/cm): 30.3

5. polarizability (10^-24cm³): 19.37

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: 4

5. number of tautomers: none

6. topological molecule polar surface area 18.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 92.4

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 and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

1. application

organic intermediates