4-styrylpyridine 4-styrylpyridine
structural formula
| business number | 02na |
|---|---|
| molecular formula | c13h11n |
| molecular weight | 181.23 |
| label |
4-stilbazole |
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
