4-octanol

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:589-62-8

mdl number:mfcd00014409

einecs number:209-654-3

rtecs number:none

brn number:1719296

pubchem number:24886744

physical property data

1. physical property data

1. melting point (ºc): -40.7

2. boiling point (ºc, normal pressure): 176.6°c

3. density: 0.82g/ml at 25 °c(lit.

4. refractive index: n20/d 1.425(lit.)

5. flash point (ºc): 65

6. relative density (20℃, 4℃): 0.8192

7. relative density (25℃, 4℃): 0.8154

8. refractive index at room temperature (n²⁵): 1.4227

9. critical temperature (ºc): 351.95

10. critical density (g·cm^-3): 0.253

11. critical volume (cm³·mol^-1) ：515

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 40.60

2. molar volume (cm³/mol): 158.4

3. isotonic specific volume (90.2k): 364.5

4. surface tension (dyne/cm): 28.0

5. polarizability (10^-24cm³): 16.09

compute chemical data

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

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 5

5. number of tautomers: none

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 52.5

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

storage method

none

synthesis method

none

purpose

none

resource:allhdi.com