ethyl p-methoxybenzoate

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:94-30-4

mdl number:mfcd00015151

einecs number:202-320-8

rtecs number:bz4697000

brn number:2209700

pubchem number:24901059

physical property data

melting point (ºc): 7

boiling point (ºc): 266

relative density (20℃, 4℃): 1.1075

relative density ( 25℃, 4℃): 1.016¹³³

refractive index at normal temperature (n²⁰): 1.5254

refractive index at normal temperature (n²⁵): 1.5238

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 49.33

2. molar volume (cm³/mol): 167.8

3. isotonic specific volume (90.2k ): 408.5

4. surface tension (dyne/cm): 35.1

5. polarizability (10-24cm3): 19.55

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: 3

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 35.5

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 160

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

none yet