2-naphthyl benzoate

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:93-44-7

mdl number:mfcd00014320

einecs number:202-247-1

rtecs number:none

brn number:2052424

pubchem id:none

physical property data

1. properties: white crystalline powder. the color becomes darker after being left for a long time.

2. the standard heat of combustion (enthalpy) of the crystal phase (kj·mol^-1): -8219.9

3. the standard claim heat of the crystal phase ( enthalpy) (kj·mol^-1): -184.8

4. melting point (ºc): 107

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

6. boiling point (ºc, 5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc) : undetermined

9. specific optical rotation (º): undetermined

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

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

12. saturation vapor pressure (kpa, 60ºc): undetermined

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

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water) log value of distribution coefficient: undetermined

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

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

19. solubility: easily soluble in hot ethanol, glycerol and chloroform, slightly soluble in ether, almost insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 75.74

2. molar volume (cm³/mol): 206.9

3. isotonic specific volume (90.2k ): 548.5

4. surface tension (dyne/cm): 49.3

5. polarizability (10^-24cm³): 30.02

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): none

2. hydrogennumber of bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. tautomerism number of bodies: none

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 306

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. no determine the number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be sealed and stored in a cool place.

synthesis method

none

purpose

used in organic synthesis. paraffin hardener.

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