1,2-diphenoxyethane 1,2-diphenoxyethane

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:104-66-5

mdl number:mfcd00003039

einecs number:203-224-9

rtecs number:none

brn number:2052248

pubchem number:24879078

physical property data

1. characteristics: undetermined

2. density (g/ml, 25℃): undetermined

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

4. melting point (ºc): 94-96

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

6. boiling point (ºc, 12mmhg): 185

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

ecological data

none

molecular structure data

1. molar refractive index: 63.81

2. molar volume (cm³/mol): 198.3

3. isotonic specific volume (90.2k ) 495.7

4. surface tension (dyne/cm): 39.0

5. dielectric constant:

6. evendistance (10^-24cm³):

7. polarizability: 25.29

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: 5

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: 150

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