1-Chlorododecane 1-Chlorododecane

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:112-52-7

MDL number:MFCD00013688

EINECS number:203-981-5

RTECS number:None

BRN number:635778

PubChem number:24854722

Physical property data

1. Properties: colorless, transparent or light yellow oily liquid.

2. Density (g/mL, 20/4℃): 0.8673

3. Relative density (25℃, 4℃): 0.8636

4 . Melting point (ºC): -9.3

5. Boiling point (ºC, normal pressure): 260

6. Boiling point (ºC, 1.33KPa): 126

7. Refractive index (n20ºC): 1.4434

8. Refractive index at room temperature (n²⁵): 1.4412

9. Gas phase standard claims heat (enthalpy )(kJ·mol^-1): -321.1

10. The liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -392.3

11. Vapor pressure (mmHg, 70ºC): 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. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Insoluble in water, soluble in benzene, easily soluble in ethanol, miscible with acetone, carbon tetrachloride and petroleum ether.

Toxicological data

Irritating to eyes, mucous membranes and skin.

Ecological data

None

Molecular structure data

1. Molar refractive index: 62.49

2. Molar volume (cm³/mol): 238.0

3. Isotonic specific volume (90.2K ): 548.0

4. Surface tension (dyne/cm): 28.1

5. Polarizability (10^-24cm³): 24.77

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: 10

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 81.2

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

When exposed to open flames or high temperatures, it can burn and decompose to release toxic gases. Avoid inhalation of vapors.

Storage method

None

Synthesis method

It is obtained by chlorination of dodecyl alcohol with thionyl chloride.

Purpose

Solvents, surfactants, plasticizers, intermediates in organic synthesis.