structural formula

business number	027s
molecular formula	c16h14o4
molecular weight	270.28
label	1,2-bis(benzoyloxy)ethane, glycol dibenzoate

• 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:94-49-5

mdl number:none

einecs number:202-338-6

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): 70

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

6. boiling point (ºc) , kpa): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

9. specific rotation ( º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (mmhg, 25ºc): not determined

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

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

14. critical temperature (ºc): undetermined determined

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

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toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 74.00

2. molar volume (cm³/mol): 226.1

3. isotonic specific volume (90.2k ): 592.0

4. surface tension (dyne/cm): 47.0

5. polarizability (10-24cm3): 29.33

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: 4

4. number of rotatable chemical bonds: 7

5. number of tautomers: none

6. topological molecule polar surface area 52.6

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 282

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

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