3-nonanol

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:624-51-1

MDL number:MFCD00014411

EINECS number:210-850-6

RTECS number:None

BRN number:1719453

PubChem number:24886675

Physical property data

1. Properties: colorless liquid.

2. Relative density (g/mL, 20/4℃): 0.8250

3. Relative density (25℃, 4℃): 0.8214

4. Melting point (ºC): 22

5. Boiling point (ºC, normal pressure): 194.7

6. Refractive index at room temperature (n²⁵): 1.429

7. Refractive index (n20ºC): 1.431

8. Flash point (ºC): 96

9. Specific rotation (º): Not available Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): 374.85

15. Critical density (g·cm^-3): 0.250

16. Critical volume (cm³·mol^{– 1}): 577

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: soluble in ethanol, miscible in ether, insoluble in water.

Toxicological data

None yet

Ecological data

Do not allow large quantities of products that are slightly harmful to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 45.23

2. Molar volume (cm³/mol): 174.9

3. Isotonic specific volume (90.2K ): 404.3

4. Surface tension (dyne/cm): 28.5

5. Polarizability (10^-24cm³): 17.93

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: None

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 61.7

10. Number of isotope atoms: 0

11. Determine the atomic configuration Number of centers: 0

12. Uncertain number of atomic stereocenters: 1

13. Determined number of chemical bond stereocenters: 0

14. Uncertain Number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Keep away from oxides.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

Solvents and organic synthesis intermediates.