Octanoyl chloride Octanoyl chloride

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:111-64-8

MDL number:MFCD00000766

EINECS number:203-891-6

RTECS number:RH1570000

BRN number:635917

PubChem number:24898002

Physical property data

1. Properties: colorless to straw yellow transparent liquid with pungent odor.

2. Density (g/mL, 35℃): 0.953

3. Relative vapor density (g/mL, air=1): 5.63

4. Melting point (ºC): -63

5. Boiling point (ºC, normal pressure): 195.6

6. Relative density (20℃, 4℃): 0.9535 ¹⁵

7. Relative density (25℃, 4℃): 0.9400³⁰

8. Flash point (ºC): 75

9. Refractive index at room temperature (n²⁰): 1.4335

10. Autoignition point or ignition temperature (ºC) : Undetermined

11. Vapor pressure (mmHg, 20ºC): Undetermined

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. Logarithmic 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: Soluble in ether.

Toxicological data

None

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 43.99

2. Molar volume (cm³/mol): 169.0

3. Isotonic specific volume (90.2K): 393.9

4. Surface tension (dyne/cm): 29.4

5. Polarizability (10^-24cm³): 17.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

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 17.1

7.Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 91.3

10. Number of isotope atoms: 0

11. Determine the atoms Number of 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: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with moist air. It is forbidden to contact with strong alkali, water, oxidizing agent and alcohol.

Storage method

Store in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from alkalis, oxidants, alcohols, food chemicals, etc., and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used in organic synthesis.