4-styrylpyridine 4-styrylpyridine

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:103-31-1

mdl number:mfcd00137749

einecs number:203-099-0

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): 131

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

6. boiling point (ºc ,5mmhg): 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, 20.2ºc): not determined

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 yet

ecological data

none yet

molecular structure data

1. molar refractive index: 61.73

2. molar volume (cm³/mol): 165.8

3. isotonic specific volume (90.2k ): 436.1

4. surface tension (dyne/cm): 47.7

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 24.47

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 3.1

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 12.9

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 174

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 number: 1

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