4-isopropylpyridine

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:696-30-0

mdl number:mfcd00039719

einecs number:211-794-5

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. characteristics: colorless and transparent liquid.

2. density (g/ml,25/4℃): 0.93

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure): 178

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

7. refractive index: undetermined

8. flash point (ºc): 66

9. specific optical rotation (º): undetermined

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

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

12. saturated 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/logarial value of the partition coefficient of water: undetermined

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

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

19. solubility: undetermined .

toxicological data

none yet

ecological data

usually not harmful to water, do not discharge materials into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 38.52

2. molar volume（m³/ mol）：132.7

3. isotonic specific volume（90.2k）：316.4

4. surface tension（dyne/cm）：32.3

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability: 15.27

compute chemical data

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

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 12.9

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 72.6

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters :0

12. uncertain number of stereocenters of atoms: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain number of stereocenters of chemical bonds number of structural centers: 0

15. number of covalent bond units: 1

properties and stability

keep away from oxides and sources of fire.

storage method

store in an airtight container and place store in a cool, dry place. store away from oxidizing agents. keep away from sources of fire.

synthesis method

none yet

purpose

none yet

resource:allhdi.com