1-Chlorooctane 1-Chlorooctane
Structural formula
| Business number | 034G |
|---|---|
| Molecular formula | C8H17Cl |
| Molecular weight | 148.67 |
| label |
n-octyl chloride, Chlorinated n-octane, Chlorooctane, n-Octyl chloride, Octyl chloride, linear compound |
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.
