1-Chlorooctane 1-Chlorooctane

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:111-85-3

MDL number:MFCD00001022

EINECS number:203-915-5

RTECS number:None

BRN number:1697464

PubChem number:24847650

Physical property data

1. Properties: colorless and transparent oily liquid

2. Density (g/mL, 20℃): 0.8738

3. Relative density (20℃, 4℃) :0.8734

4. Melting point (ºC): -57.8

5. Boiling point (ºC, normal pressure): 181.5

6. Relative density (25℃ , 4℃): 0.8692

7. Refractive index: 1.4305

8. Flash point (ºC): 68

9. Refractive index at room temperature (n²⁰): 1.4309

10. Normal temperature refractive index (n²⁵): 1.4287

11. Liquid phase standard claims heat ( Enthalpy) (kJ·mol^-1): -291.30

12. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): -238.88

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure ( KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: soluble in water, easily soluble in alcohol, ether and other organic solvents.

Toxicological data

None

Ecological data

Highly toxic to fish. Even small amounts of the product seeping into the ground can cause harm to drinking water.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 43.96

2. Molar volume (cm³/mol): 171.9

3. Isotonic specific volume (90.2K): 388.8

4. Surface tension (dyne/cm): 26.1

5. Polarizability (10^-24cm³): 17.42

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: 0

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 9

8.Surface charge: 0

9. Complexity: 43.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters :0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

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

Synthesis method

Production method: Produced by the reaction of n-octanol and hydrochloric acid-zinc chloride.

Purpose

Organic synthetic raw materials, absorbers, light stabilizers, etc.