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