Octanoyl chloride Octanoyl chloride
Structural formula
| Business number | 033Y |
|---|---|
| Molecular formula | C8H15ClO |
| Molecular weight | 162.66 |
| label |
Octanoyl chloride, Octanoyl chloride, Octyl acid chloride, Caprylic acid chloride, Capryloyl chloride, pure element |
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.